Geometry & MOs

Info

ID:	333917
PubChem CID:	127252469
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-76.93
Dipole, Da:	7.82
IP(EA), eV:	-8.46(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,9aS)-1-acetyl-N,N,3a-trimethyl-2-phenyl-2,3,5,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocine-4-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCCC[C@H]2[C@@]1(CCN2C(=O)C3=C(N=CC=C3)N)C

DOS

IR

Vibrations