Geometry & MOs

Info

ID:	244696
PubChem CID:	99376431
Reduced:	ClO2S2N3C16H18 (1)
Stoich.:	AB2C2D3E16F18 (1)
Weight, g/mol:	357.124405
ΔH_f, kcal/mol:	-39.73
Dipole, Da:	5.81
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1=CN=CC=C1CNC(=O)CCNC(=O)CSCC2=CC=C(S2)Cl

DOS

IR

Vibrations