Geometry & MOs

Info

ID:

105211

PubChem CID:

50106655

Reduced:

O5N6C28H36 (1)

Stoich.:

A5B6C28D36 (1)

Weight, g/mol:

634.271525

ΔHf, kcal/mol:

-197.93

Dipole, Da:

6.36

IP(EA), eV:

 -9.0(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C

DOS

IR

Vibrations