Geometry & MOs

Info

ID:	150208
PubChem CID:	53789895
Reduced:	ClO2N5H14C15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	654.247183
ΔH_f, kcal/mol:	30.07
Dipole, Da:	3.21
IP(EA), eV:	-9.44(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-3-phenylpropanoate

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=NN(C(=C1C(=O)C2=C(C=C(C=C2)C3=NC=NN3)Cl)OC)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=NN(C(=C1C(=O)C2=C(C=C(C=C2)C3=NC=NN3)Cl)OC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):