Geometry & MOs

Info

ID:

97800

PubChem CID:

50035171

Reduced:

ClF2O5N6C38H43 (1)

Stoich.:

AB2C5D6E38F43 (1)

Weight, g/mol:

740.313389

ΔHf, kcal/mol:

-282.1

Dipole, Da:

9.43

IP(EA), eV:

 -9.06(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations