Geometry & MOs

Info

ID:	213134
PubChem CID:	81062978
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	292.109293
ΔH_f, kcal/mol:	-102.95
Dipole, Da:	2.61
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations