Geometry & MOs

Info

ID:

96436

PubChem CID:

50020976

Reduced:

SO4N7C27H39 (1)

Stoich.:

AB4C7D27E39 (1)

Weight, g/mol:

690.334125

ΔHf, kcal/mol:

-145.85

Dipole, Da:

4.15

IP(EA), eV:

 -8.95(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=NN=C(S3)C

DOS

IR

Vibrations