Geometry & MOs

Info

ID:

98030

PubChem CID:

50038415

Reduced:

ClF2O4N5C34H38 (1)

Stoich.:

AB2C4D5E34F38 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-231.77

Dipole, Da:

7.98

IP(EA), eV:

 -9.07(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(2,6-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations