Geometry & MOs

Info

ID:

98287

PubChem CID:

50042267

Reduced:

F2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-275.76

Dipole, Da:

4.68

IP(EA), eV:

 -8.96(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(cyclohexylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(C)C)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations