Geometry & MOs

Info

ID:

93473

PubChem CID:

49995002

Reduced:

N5O5C39H49 (1)

Stoich.:

A5B5C39D49 (1)

Weight, g/mol:

671.348298

ΔHf, kcal/mol:

-195.77

Dipole, Da:

1.59

IP(EA), eV:

 -8.1(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluorobenzoyl)amino]-4-methoxyphenyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC(=C5)C

DOS

IR

Vibrations