Geometry & MOs

Info

ID:

110038

PubChem CID:

50306609

Reduced:

ClO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

746.335875

ΔHf, kcal/mol:

-217.51

Dipole, Da:

11.13

IP(EA), eV:

 -8.97(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N(C)C)Cl

DOS

IR

Vibrations