Geometry & MOs

Info

ID:	342112
PubChem CID:	127264825
Reduced:	NSO4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-85.84
Dipole, Da:	5.7
IP(EA), eV:	-8.53(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-[2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]phenyl] N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CN(C)C(=O)SC1=CC=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations