Geometry & MOs

Info

ID:	216979
PubChem CID:	85087067
Reduced:	NSO4C16H19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-131.25
Dipole, Da:	6.24
IP(EA), eV:	-9.82(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylheptanoic acid

Drug info:

PubChemData

Smile

CC=C(CC=C)C1COC(=O)N1S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations