Geometry & MOs

Info

ID:	175036
PubChem CID:	75848932
Reduced:	ClON4C20H30 (1)
Stoich.:	ABC4D20E30 (1)
Weight, g/mol:	455.074026
ΔH_f, kcal/mol:	2.1
Dipole, Da:	5.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752626
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3CC(NN3)C4=CC=CC=C4Cl

DOS

IR

Vibrations