Geometry & MOs

Info

ID:	421201
PubChem CID:	135115552
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	384.01359
ΔH_f, kcal/mol:	-114.68
Dipole, Da:	5.37
IP(EA), eV:	-8.82(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-(4,5-dichlorothiophen-2-yl)sulfonyl-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)OCCN2CCOCC2)[C@@H]3C[C@@H]4CC(=O)NC[C@@H]4C3

DOS

IR

Vibrations