Geometry & MOs

Info

ID:	422475
PubChem CID:	135117898
Reduced:	ON4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	364.118985
ΔH_f, kcal/mol:	44.63
Dipole, Da:	3.13
IP(EA), eV:	-8.52(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S,6R,7R)-6-[[(2-chlorobenzoyl)amino]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]acetic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)CN2[C@@H](CC=C[C@H]2CC=C)CC=C

DOS

IR

Vibrations