Geometry & MOs

Info

ID:	415614
PubChem CID:	135088613
Reduced:	NOC10H15 (2)
Stoich.:	ABC10D15 (2)
Weight, g/mol:	370.136257
ΔH_f, kcal/mol:	-98.18
Dipole, Da:	3.28
IP(EA), eV:	-9.04(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)C

DOS

IR

Vibrations