Geometry & MOs

Info

ID:

170387

PubChem CID:

75225394

Reduced:

O10N12C37H64 (1)

Stoich.:

A10B12C37D64 (1)

Weight, g/mol:

568.023818

ΔHf, kcal/mol:

-479.14

Dipole, Da:

6.04

IP(EA), eV:

 -9.26(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]-N-(2,4,5-trifluorophenyl)sulfonylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CO)NC(=O)C

DOS

IR

Vibrations