Geometry & MOs

Info

ID:	147953
PubChem CID:	53787614
Reduced:	O3C25H46 (1)
Stoich.:	A3B25C46 (1)
Weight, g/mol:	512.124481
ΔH_f, kcal/mol:	-197.16
Dipole, Da:	3.83
IP(EA), eV:	-9.39(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-amino-5-(5-chloro-2-methoxyphenyl)sulfonyl-2-oxo-1H-pyridin-4-yl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(CC=O)O[C@@H]1CCCCO1

DOS

IR

Vibrations