Geometry & MOs

Info

ID:	422630
PubChem CID:	135118165
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	381.135842
ΔH_f, kcal/mol:	-156.29
Dipole, Da:	2.89
IP(EA), eV:	-8.44(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C4=C(C=CC=N4)C(=O)O)OC

DOS

IR

Vibrations