Geometry & MOs

Info

ID:	196095
PubChem CID:	78779511
Reduced:	OCl2N3H13C18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	41.01
Dipole, Da:	6.1
IP(EA), eV:	-9.76(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-(3-methylbutan-2-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=N2)NC(=O)C3=CC(=NC(=C3)Cl)Cl

DOS

IR

Vibrations