Geometry & MOs

Info

ID:

109792

PubChem CID:

50297603

Reduced:

ClO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-168.89

Dipole, Da:

4.94

IP(EA), eV:

 -8.91(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[3-methyl-4-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N(C)C)Cl

DOS

IR

Vibrations