Geometry & MOs

Info

ID:

115542

PubChem CID:

50526633

Reduced:

ClO5N6C32H35 (1)

Stoich.:

AB5C6D32E35 (1)

Weight, g/mol:

636.226324

ΔHf, kcal/mol:

-168.63

Dipole, Da:

5.5

IP(EA), eV:

 -8.5(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[3-[3-[(4-fluorobenzoyl)amino]-4-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations