Geometry & MOs

Info

ID:	192602
PubChem CID:	78290650
Reduced:	ClN4O4C24H29 (1)
Stoich.:	AB4C4D24E29 (1)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	-133.65
Dipole, Da:	5.5
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC3=C(C=C(C=C3)Cl)C

DOS

IR

Vibrations