Geometry & MOs

Info

ID:

98568

PubChem CID:

50045079

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

720.343547

ΔHf, kcal/mol:

-243.24

Dipole, Da:

12.73

IP(EA), eV:

 -8.59(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-methyl-3-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)C)C

DOS

IR

Vibrations