Geometry & MOs

Info

ID:

92967

PubChem CID:

49990795

Reduced:

O5N6C41H58 (1)

Stoich.:

A5B6C41D58 (1)

Weight, g/mol:

716.426134

ΔHf, kcal/mol:

-236.15

Dipole, Da:

13.95

IP(EA), eV:

 -8.91(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)C

DOS

IR

Vibrations