Geometry & MOs

Info

ID:

105403

PubChem CID:

50107122

Reduced:

ClO5N6C32H35 (1)

Stoich.:

AB5C6D32E35 (1)

Weight, g/mol:

632.275861

ΔHf, kcal/mol:

-172.56

Dipole, Da:

6.86

IP(EA), eV:

 -8.93(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[4-fluoro-3-[(3-methoxybenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations