Geometry & MOs

Info

ID:

94384

PubChem CID:

50000545

Reduced:

SO4N7C31H45 (1)

Stoich.:

AB4C7D31E45 (1)

Weight, g/mol:

611.328311

ΔHf, kcal/mol:

-163.97

Dipole, Da:

4.88

IP(EA), eV:

 -8.85(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations