Geometry & MOs

Info

ID:

116899

PubChem CID:

50579958

Reduced:

ClN6O6C34H45 (1)

Stoich.:

AB6C6D34E45 (1)

Weight, g/mol:

639.318747

ΔHf, kcal/mol:

-257.19

Dipole, Da:

10.8

IP(EA), eV:

 -8.82(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]-N-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C)Cl

DOS

IR

Vibrations