Geometry & MOs

Info

ID:	35905
PubChem CID:	7980473
Reduced:	ClNO5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	402.124943
ΔH_f, kcal/mol:	-150.85
Dipole, Da:	6.34
IP(EA), eV:	-9.59(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

DOS

IR

Vibrations