Geometry & MOs

Info

ID:

94604

PubChem CID:

50002619

Reduced:

O5N6C38H48 (1)

Stoich.:

A5B6C38D48 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-197.53

Dipole, Da:

5.27

IP(EA), eV:

 -8.74(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-[(2-fluorophenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC=C3C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations