Geometry & MOs

Info

ID:

94301

PubChem CID:

49999516

Reduced:

N6O7C41H58 (1)

Stoich.:

A6B7C41D58 (1)

Weight, g/mol:

690.410483

ΔHf, kcal/mol:

-309.57

Dipole, Da:

1.0

IP(EA), eV:

 -8.84(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-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)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC

DOS

IR

Vibrations