Geometry & MOs

Info

ID:	339615
PubChem CID:	127261605
Reduced:	NSO2C8H8 (2)
Stoich.:	ABC2D8E8 (2)
Weight, g/mol:	252.075491
ΔH_f, kcal/mol:	-57.55
Dipole, Da:	0.85
IP(EA), eV:	-9.95(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-methyl-1-phenylbut-1-enyl] N-aminocarbamodithioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/C=N/N=C/S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations