Geometry & MOs

Info

ID:	138556
PubChem CID:	52384900
Reduced:	N4O4H17C20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-35.22
Dipole, Da:	13.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.881721
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(ethylcarbamoyl)-2-(4-methyl-2-propoxyanilino)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3=CC(=O)N=C(N3)[O-]

DOS

IR

Vibrations