Geometry & MOs

Info

ID:	391150
PubChem CID:	135003166
Reduced:	BNO2F3C14H20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	-310.56
Dipole, Da:	13.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771696
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(S)-(2-cyano-1-oxo-3,4-dihydronaphthalen-2-yl)-phenylmethyl]carbamate

Drug info:

PubChemData

Smile

[B-](CC(C)C(=O)N(C)[C@@H](C)[C@H](C1=CC=CC=C1)O)(F)(F)F

DOS

IR

Vibrations