Geometry & MOs

Info

ID:	176165
PubChem CID:	76002858
Reduced:	NS2O3H25C26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	474.251858
ΔH_f, kcal/mol:	-61.13
Dipole, Da:	1.91
IP(EA), eV:	-8.33(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(naphthalen-1-ylmethyl)-2-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2(CC(=O)N(C2C3=CC=CC=C3)C4=CC(=CC=C4)SC)C(=O)OC

DOS

IR

Vibrations