Geometry & MOs

Info

ID:	421455
PubChem CID:	135116038
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	4.12
IP(EA), eV:	-9.23(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)N3C[C@H]([C@H](C3)O)CC4=CC=NC=C4)N=C1N5CCOCC5

DOS

IR

Vibrations