Geometry & MOs

Info

ID:	35512
PubChem CID:	7979968
Reduced:	N4O4H20C23 (1)
Stoich.:	A4B4C20D23 (1)
Weight, g/mol:	410.162391
ΔH_f, kcal/mol:	-45.06
Dipole, Da:	2.16
IP(EA), eV:	-8.84(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-methyl-1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]butan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)COC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations