Geometry & MOs

Info

ID:	29364
PubChem CID:	833376
Reduced:	SN2O2H16C20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	310.113984
ΔH_f, kcal/mol:	-0.92
Dipole, Da:	4.98
IP(EA), eV:	-8.7(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-N-(pyrrolidine-1-carbothioyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)O

DOS

IR

Vibrations