Geometry & MOs

Info

ID:	391486
PubChem CID:	135005738
Reduced:	NSO2C25H25 (1)
Stoich.:	ABC2D25E25 (1)
Weight, g/mol:	372.14337
ΔH_f, kcal/mol:	-19.67
Dipole, Da:	5.08
IP(EA), eV:	-9.17(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2C[C@](CN2S(=O)(=O)C3=CC=C(C=C3)C)(C4=CC=CC=C14)C5=CC=CC=C5

DOS

IR

Vibrations