Geometry & MOs

Info

ID:	418327
PubChem CID:	135104195
Reduced:	SN2O4C21H30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-183.21
Dipole, Da:	8.91
IP(EA), eV:	-9.19(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-[2-(1H-imidazol-2-yl)benzoyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C)O

DOS

IR

Vibrations