Geometry & MOs

Info

ID:

114754

PubChem CID:

50495634

Reduced:

F2O5N6C32H34 (1)

Stoich.:

A2B5C6D32E34 (1)

Weight, g/mol:

654.216902

ΔHf, kcal/mol:

-252.36

Dipole, Da:

4.94

IP(EA), eV:

 -8.91(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-1-[1-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)N)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations