Geometry & MOs

Info

ID:	155793
PubChem CID:	56367571
Reduced:	ClSO2N5H18C21 (1)
Stoich.:	ABC2D5E18F21 (1)
Weight, g/mol:	440.188212
ΔH_f, kcal/mol:	25.0
Dipole, Da:	7.62
IP(EA), eV:	-9.0(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NCC(=O)NC3=CN=CC=C3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations