Geometry & MOs

Info

ID:

106095

PubChem CID:

50148781

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-180.75

Dipole, Da:

2.02

IP(EA), eV:

 -8.95(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-fluorophenyl)methylcarbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NCC(C)C)C

DOS

IR

Vibrations