Geometry & MOs

Info

ID:	44252
PubChem CID:	10502221
Reduced:	N2O7C21H28 (1)
Stoich.:	A2B7C21D28 (1)
Weight, g/mol:	420.135508
ΔH_f, kcal/mol:	-299.54
Dipole, Da:	5.9
IP(EA), eV:	-9.68(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonylamino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C[C@H]1C(=O)N(CCN1C(=O)OCC2=CC=CC=C2)CC(=O)OC

DOS

IR

Vibrations