Geometry & MOs

Info

ID:	416815
PubChem CID:	135090472
Reduced:	NSO3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	372.151907
ΔH_f, kcal/mol:	-132.31
Dipole, Da:	2.56
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CCCCSCC1=C(OC(=C1)C(=O)NC[C@H]2CCCO2)C

DOS

IR

Vibrations