Geometry & MOs

Info

ID:

164643

PubChem CID:

74430569

Reduced:

SO6N7C41H49 (1)

Stoich.:

AB6C7D41E49 (1)

Weight, g/mol:

768.40329

ΔHf, kcal/mol:

-140.87

Dipole, Da:

12.78

IP(EA), eV:

 -8.4(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-cyclohexyl-3-methoxy-N-(2-methylpropylsulfonyl)-6-[2-propan-2-yl-4-(3,4,5-trimethylpiperazine-1-carbonyl)pyrazol-3-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

Drug info:

PubChemData

Smile

CN1CC2CCC(C1)N2C(=O)C3=C(N(N=C3)C)C4=CC5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N8CCOCC8)C9CCCCC9

DOS

IR

Vibrations