Geometry & MOs

Info

ID:	89912
PubChem CID:	49965339
Reduced:	S2N3O4C22H27 (1)
Stoich.:	A2B3C4D22E27 (1)
Weight, g/mol:	499.150053
ΔH_f, kcal/mol:	-165.22
Dipole, Da:	4.25
IP(EA), eV:	-9.03(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-benzyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=C(C5=C(S4)C(=O)C=C(N5)O)C(=O)N

DOS

IR

Vibrations