Geometry & MOs

Info

ID:	128051
PubChem CID:	51028806
Reduced:	OSN3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	361.167794
ΔH_f, kcal/mol:	-23.57
Dipole, Da:	4.64
IP(EA), eV:	-8.37(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,6R,7R,9S)-N,N-dibenzyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)N[C@H]2C[C@@H]3CC[C@H]2C3

DOS

IR

Vibrations