Geometry & MOs

Info

ID:	67354
PubChem CID:	46506333
Reduced:	SN3O4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	602.07874
ΔH_f, kcal/mol:	-41.71
Dipole, Da:	3.44
IP(EA), eV:	-9.01(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(4-bromophenyl)-5-N-(2,4-dimethylphenyl)-2-N-(4-fluorophenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)C3=C(N(C2=O)CC4=CC(=CC=C4)[N+](=O)[O-])SC(=C3C)C)C

DOS

IR

Vibrations