Geometry & MOs

Info

ID:	414269
PubChem CID:	135087225
Reduced:	SO3N4C16H28 (1)
Stoich.:	AB3C4D16E28 (1)
Weight, g/mol:	767.324723
ΔH_f, kcal/mol:	-110.06
Dipole, Da:	6.83
IP(EA), eV:	-8.32(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-4-methyl-15-(1-methylimidazole-4-carbonyl)-10-(2-methylsulfanylethyl)-19-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C(=NN1C(C)C)C)S(=O)(=O)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C(=NN1C(C)C)C)S(=O)(=O)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):