Geometry & MOs

Info

ID:	165184
PubChem CID:	74512724
Reduced:	N5O5C19H20 (1)
Stoich.:	A5B5C19D20 (1)
Weight, g/mol:	490.177372
ΔH_f, kcal/mol:	-142.97
Dipole, Da:	10.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.990490
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=O)C3C(=CC=NC3=[N+](C2=O)C)OC

DOS

IR

Vibrations