Geometry & MOs

Info

ID:

104035

PubChem CID:

50087018

Reduced:

SO3N4C31H36 (1)

Stoich.:

AB3C4D31E36 (1)

Weight, g/mol:

720.343547

ΔHf, kcal/mol:

-83.49

Dipole, Da:

5.99

IP(EA), eV:

 -8.16(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-fluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations