Geometry & MOs

Info

ID:	35513
PubChem CID:	7979974
Reduced:	SN4O5C18H26 (1)
Stoich.:	AB4C5D18E26 (1)
Weight, g/mol:	410.162391
ΔH_f, kcal/mol:	-184.89
Dipole, Da:	8.5
IP(EA), eV:	-9.69(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C

DOS

IR

Vibrations