Geometry & MOs

Info

ID:	179555
PubChem CID:	76498264
Reduced:	SN2O2C7H12 (1)
Stoich.:	AB2C2D7E12 (1)
Weight, g/mol:	692.414432
ΔH_f, kcal/mol:	-101.97
Dipole, Da:	4.01
IP(EA), eV:	-9.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[1-(5-acetyloxy-3-ethyl-3-hydroxypentyl)sulfanyl-17-ethyl-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]sulfanyl]-3-ethyl-3-hydroxypentyl] acetate

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

CC(C)C1C(NC(=O)NC1=O)S

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

CC(C)C1C(NC(=O)NC1=O)S

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):