Geometry & MOs

Info

ID:

95693

PubChem CID:

50012399

Reduced:

ClO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-221.18

Dipole, Da:

8.06

IP(EA), eV:

 -9.0(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)C

DOS

IR

Vibrations