Geometry & MOs

Info

ID:	377771
PubChem CID:	134223836
Reduced:	NSO5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	395.173273
ΔH_f, kcal/mol:	-183.07
Dipole, Da:	14.62
IP(EA), eV:	-8.99(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-10-methoxy-9-(4-methoxybut-1-ynyl)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC2=CC3=C(C=C2C4=CC(=O)C(=CN14)C(=O)O)SC(O3)CCOC

DOS

IR

Vibrations