Geometry & MOs

Info

ID:	131092
PubChem CID:	51155449
Reduced:	ClN3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	382.090662
ΔH_f, kcal/mol:	-75.98
Dipole, Da:	3.84
IP(EA), eV:	-8.63(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)NCC3=CC=CC=N3

DOS

IR

Vibrations