Geometry & MOs

Info

ID:	180873
PubChem CID:	76698494
Reduced:	NSO6C15H21 (1)
Stoich.:	ABC6D15E21 (1)
Weight, g/mol:	433.155909
ΔH_f, kcal/mol:	-264.6
Dipole, Da:	4.72
IP(EA), eV:	-10.18(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methylsulfonylphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)S(=O)(=O)C)C(=O)O

DOS

IR

Vibrations