Geometry & MOs

Info

ID:	132970
PubChem CID:	51454978
Reduced:	S2N4O4C19H26 (1)
Stoich.:	A2B4C4D19E26 (1)
Weight, g/mol:	450.247835
ΔH_f, kcal/mol:	-172.19
Dipole, Da:	3.73
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3aR,6aS)-2-[(2R,3aR,6aR)-4-cyclohexyl-6-methyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4-cyclohexyl-6-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one

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

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC(=O)NCC)C[C@H]3CCCO3)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

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC(=O)NCC)C[C@H]3CCCO3)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):