Geometry & MOs

Info

ID:

107671

PubChem CID:

50214318

Reduced:

N6O6C43H60 (1)

Stoich.:

A6B6C43D60 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-275.72

Dipole, Da:

7.93

IP(EA), eV:

 -8.14(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-fluorophenyl)methylcarbamoyl]anilino]-3-oxopropyl]-1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6CCCCC6)OC)C

DOS

IR

Vibrations