Geometry & MOs

Info

ID:	67346
PubChem CID:	46506314
Reduced:	BrSO2N4C32H33 (1)
Stoich.:	ABC2D4E32F33 (1)
Weight, g/mol:	590.13511
ΔH_f, kcal/mol:	-28.1
Dipole, Da:	3.43
IP(EA), eV:	-8.44(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3C(=C2C4=CC=C(C=C4)Br)C(=C(S3)C(=O)NCCC5=CCCCC5)N)C)C

DOS

IR

Vibrations