Geometry & MOs

Info

ID:	423318
PubChem CID:	135119305
Reduced:	S2N3O3C23H25 (1)
Stoich.:	A2B3C3D23E25 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	2.98
IP(EA), eV:	-9.08(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)N2[C@@H]3CC[C@H]2[C@@](C3)(CC4=CSC=N4)C(=O)NCC5=CSC=C5

DOS

IR

Vibrations