Geometry & MOs

Info

ID:	396510
PubChem CID:	135028605
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	459.204573
ΔH_f, kcal/mol:	-53.39
Dipole, Da:	3.58
IP(EA), eV:	-9.84(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-1-(4-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylpropan-2-yl] benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\CCC(C=C2)(C)C

DOS

IR

Vibrations