Geometry & MOs

Info

ID:	83556
PubChem CID:	49857884
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	488.261316
ΔH_f, kcal/mol:	-86.66
Dipole, Da:	3.59
IP(EA), eV:	-9.48(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-3-(3-chlorophenyl)-N-[(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CC(=O)O)NC(=O)C2=CN=CC=C2

DOS

IR

Vibrations