Geometry & MOs

Info

ID:

104260

PubChem CID:

50100129

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-206.44

Dipole, Da:

11.24

IP(EA), eV:

 -8.51(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(2-fluorobenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C4CCCCC4

DOS

IR

Vibrations