Geometry & MOs

Info

ID:	41804
PubChem CID:	8147130
Reduced:	N2O4H21C23 (1)
Stoich.:	A2B4C21D23 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	-28.69
Dipole, Da:	4.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.111026
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

DOS

IR

Vibrations