Geometry & MOs

Info

ID:	398588
PubChem CID:	135034098
Reduced:	N3O4C23H37 (1)
Stoich.:	A3B4C23D37 (1)
Weight, g/mol:	251.061614
ΔH_f, kcal/mol:	-196.36
Dipole, Da:	1.65
IP(EA), eV:	-9.35(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfonyl-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)OC)N

DOS

IR

Vibrations