Geometry & MOs

Info

ID:

92258

PubChem CID:

49984774

Reduced:

N4O5C30H40 (1)

Stoich.:

A4B5C30D40 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-196.07

Dipole, Da:

4.88

IP(EA), eV:

 -8.24(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[(4-fluorophenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations