Geometry & MOs

Info

ID:

97325

PubChem CID:

50030387

Reduced:

F2N5O5H35C36 (1)

Stoich.:

A2B5C5D35E36 (1)

Weight, g/mol:

639.265711

ΔHf, kcal/mol:

-215.62

Dipole, Da:

7.4

IP(EA), eV:

 -8.48(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-[(2-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations