Geometry & MOs

Info

ID:

94763

PubChem CID:

50003671

Reduced:

FO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

718.365425

ΔHf, kcal/mol:

-213.31

Dipole, Da:

10.44

IP(EA), eV:

 -8.8(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations