Geometry & MOs

Info

ID:	193502
PubChem CID:	78401536
Reduced:	SO3N5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	386.104876
ΔH_f, kcal/mol:	-19.93
Dipole, Da:	2.24
IP(EA), eV:	-8.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NNC(=O)CSC2NC(=C3C=CC=CC3=O)NN2

DOS

IR

Vibrations