Geometry & MOs

Info

ID:	82877
PubChem CID:	49856734
Reduced:	SSiO4C17H30 (1)
Stoich.:	ABC4D17E30 (1)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	-236.85
Dipole, Da:	4.35
IP(EA), eV:	-9.09(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,5S)-6-[(4-phenylphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@@H](C)CCOS(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations