Geometry & MOs

Info

ID:

189706

PubChem CID:

77892980

Reduced:

BrN3O5H20C22 (1)

Stoich.:

AB3C5D20E22 (1)

Weight, g/mol:

611.244537

ΔHf, kcal/mol:

-155.59

Dipole, Da:

3.98

IP(EA), eV:

 -9.09(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-2-N-[4-(dimethylcarbamoyl)-2-[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethenylamino]cyclohexyl]-3-N,3-N-dimethyl-1H-indole-2,3-dicarboxamide

Drug info:

PubChemData

Smile

C1CC2=C3C(=CC=C2)CC(N3C(=O)C1NC(=O)O)C(=O)NCC(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations