Geometry & MOs

Info

ID:	214379
PubChem CID:	84981780
Reduced:	S2O3N4C19H30 (1)
Stoich.:	A2B3C4D19E30 (1)
Weight, g/mol:	326.093643
ΔH_f, kcal/mol:	-105.88
Dipole, Da:	12.64
IP(EA), eV:	-8.43(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C

DOS

IR

Vibrations