Geometry & MOs

Info

ID:

106240

PubChem CID:

50154326

Reduced:

O5N6C38H54 (1)

Stoich.:

A5B6C38D54 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-229.26

Dipole, Da:

3.87

IP(EA), eV:

 -8.77(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2,5-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCCC(C4)C)C

DOS

IR

Vibrations