Geometry & MOs

Info

ID:

67350

PubChem CID:

46506325

Reduced:

BrClSO2N4H24C27 (1)

Stoich.:

ABCD2E4F24G27 (1)

Weight, g/mol:

580.169975

ΔHf, kcal/mol:

-26.32

Dipole, Da:

2.41

IP(EA), eV:

 -8.53(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C(SC2=N1)C(=O)NC3CCCC3)N)C4=CC=C(C=C4)Br)C(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations