Geometry & MOs

Info

ID:

95728

PubChem CID:

50013125

Reduced:

ClO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

684.363533

ΔHf, kcal/mol:

-227.64

Dipole, Da:

7.83

IP(EA), eV:

 -8.93(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(2-methoxybenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)C)Cl

DOS

IR

Vibrations