Geometry & MOs

Info

ID:

115565

PubChem CID:

50527544

Reduced:

F2O4N5C37H37 (1)

Stoich.:

A2B4C5D37E37 (1)

Weight, g/mol:

648.246311

ΔHf, kcal/mol:

-189.18

Dipole, Da:

5.27

IP(EA), eV:

 -8.87(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[3-[3-methoxy-4-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C)F

DOS

IR

Vibrations