Geometry & MOs

Info

ID:

105081

PubChem CID:

50106319

Reduced:

FN3O3C19H23 (2)

Stoich.:

AB3C3D19E23 (2)

Weight, g/mol:

754.329039

ΔHf, kcal/mol:

-315.95

Dipole, Da:

12.06

IP(EA), eV:

 -8.35(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-[(4-methoxybenzoyl)amino]-4-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations