Geometry & MOs

Info

ID:

189962

PubChem CID:

77933197

Reduced:

O2N3C13H19 (1)

Stoich.:

A2B3C13D19 (1)

Weight, g/mol:

785.393454

ΔHf, kcal/mol:

-17.58

Dipole, Da:

4.84

IP(EA), eV:

 -9.39(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-cyclohexyl-6-[4-[1-[ethyl(methyl)amino]butan-2-yl-methylcarbamoyl]-2-methylpyrazol-3-yl]-3-methoxy-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1)C2=NOC(=C2)NC(=O)C3CCCCN3

DOS

IR

Vibrations