Geometry & MOs

Info

ID:

110147

PubChem CID:

50313646

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

642.316583

ΔHf, kcal/mol:

-222.59

Dipole, Da:

5.65

IP(EA), eV:

 -8.51(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[3-[4-[(3-methoxybenzoyl)amino]-3-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N)NC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations