Geometry & MOs

Info

ID:

85702

PubChem CID:

49878353

Reduced:

ClSO2N4H29C32 (1)

Stoich.:

ABC2D4E29F32 (1)

Weight, g/mol:

630.04919

ΔHf, kcal/mol:

-7.92

Dipole, Da:

3.78

IP(EA), eV:

 -8.34(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-4-(4-bromophenyl)-N-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3C(=C2C4=CC=CC=C4Cl)C(=C(S3)C(=O)NCCC5=CC=CC=C5)N)C)C

DOS

IR

Vibrations