Geometry & MOs

Info

ID:	159238
PubChem CID:	57265471
Reduced:	SN5O5C18H21 (1)
Stoich.:	AB5C5D18E21 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-156.37
Dipole, Da:	9.59
IP(EA), eV:	-8.9(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,4aR,12bS)-9-methoxy-5-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=N)N)NC(=O)CCC(=O)NC([C@@H](CO)C2=NC=CS2)C(=O)O

DOS

IR

Vibrations