Geometry & MOs

Info

ID:	408007
PubChem CID:	135080762
Reduced:	O2S3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	149.071488
ΔH_f, kcal/mol:	-20.7
Dipole, Da:	4.32
IP(EA), eV:	-8.94(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-benzylidene(carbamoyl)azanium

Drug info:

PubChemData

Smile

CC(=O)C(=C1SCCS1)C(=O)/C=C/C2=CC=CS2

DOS

IR

Vibrations