Geometry & MOs

Info

ID:	59706
PubChem CID:	24894416
Reduced:	FO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	375.042142
ΔH_f, kcal/mol:	-158.63
Dipole, Da:	2.2
IP(EA), eV:	-9.71(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-ethylsulfanylcarbothioylsulfanylacetyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=O)[C@@]4([C@@]3(CC=CC4)C)F

DOS

IR

Vibrations