Geometry & MOs

Info

ID:	414851
PubChem CID:	135087823
Reduced:	ClN5O5C30H36 (1)
Stoich.:	AB5C5D30E36 (1)
Weight, g/mol:	378.047477
ΔH_f, kcal/mol:	-78.67
Dipole, Da:	8.91
IP(EA), eV:	-8.44(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)CCC4=CC=CC=C4Cl

DOS

IR

Vibrations