Geometry & MOs

Info

ID:

94545

PubChem CID:

50002206

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

690.410483

ΔHf, kcal/mol:

-223.8

Dipole, Da:

5.84

IP(EA), eV:

 -8.79(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-(cyclohexanecarbonylamino)-3-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC

DOS

IR

Vibrations