Geometry & MOs

Info

ID:	418078
PubChem CID:	135103487
Reduced:	N2S2O6C15H18 (1)
Stoich.:	A2B2C6D15E18 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-189.99
Dipole, Da:	3.39
IP(EA), eV:	-9.82(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(5-methoxy-3-methyl-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2=CC(=C(S2)C)S(=O)(=O)N3CC[C@@H]([C@H](C3)C(=O)O)O

DOS

IR

Vibrations