Geometry & MOs

Info

ID:

164642

PubChem CID:

74430372

Reduced:

N12O16C55H84 (1)

Stoich.:

A12B16C55D84 (1)

Weight, g/mol:

767.346504

ΔHf, kcal/mol:

-748.01

Dipole, Da:

8.79

IP(EA), eV:

 -8.89(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-cyclohexyl-3-methoxy-6-[2-methyl-4-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)pyrazol-3-yl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations