Geometry & MOs

Info

ID:	133169
PubChem CID:	51486778
Reduced:	N3O4C24H39 (1)
Stoich.:	A3B4C24D39 (1)
Weight, g/mol:	396.065904
ΔH_f, kcal/mol:	-241.39
Dipole, Da:	3.97
IP(EA), eV:	-9.59(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-chloro-4-nitrophenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1CCCCC1)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations