Geometry & MOs

Info

ID:

106383

PubChem CID:

50161285

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-214.44

Dipole, Da:

8.25

IP(EA), eV:

 -8.57(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-fluorobenzoyl)amino]-3-methoxyanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C(C)C)C

DOS

IR

Vibrations