Geometry & MOs

Info

ID:	416495
PubChem CID:	135089510
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	344.122835
ΔH_f, kcal/mol:	-102.4
Dipole, Da:	4.0
IP(EA), eV:	-8.96(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C1=CN=C(C=C1)N2C[C@@H]([C@H](C2)O)N3CCOCC3

DOS

IR

Vibrations