Geometry & MOs

Info

ID:

94510

PubChem CID:

50002076

Reduced:

ClO5N6C35H49 (1)

Stoich.:

AB5C6D35E49 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-244.78

Dipole, Da:

8.1

IP(EA), eV:

 -8.89(-0.82)

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-[3-[3-chloro-4-(cyclohexylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations