Geometry & MOs

Info

ID:

67355

PubChem CID:

46506336

Reduced:

BrFSO2N4H24C30 (1)

Stoich.:

ABCD2E4F24G30 (1)

Weight, g/mol:

610.08049

ΔHf, kcal/mol:

-38.61

Dipole, Da:

6.36

IP(EA), eV:

 -8.59(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-4-(4-bromophenyl)-N-(4-chlorophenyl)-2-(3,5-dimethylpiperidine-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=C(C=C4)Br)C(=C(S3)C(=O)NC5=CC=C(C=C5)F)N)C)C

DOS

IR

Vibrations