Geometry & MOs

Info

ID:

120093

PubChem CID:

50713692

Reduced:

ClN6O6C34H39 (1)

Stoich.:

AB6C6D34E39 (1)

Weight, g/mol:

668.232552

ΔHf, kcal/mol:

-209.48

Dipole, Da:

5.4

IP(EA), eV:

 -8.55(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl

DOS

IR

Vibrations