Geometry & MOs

Info

ID:

107550

PubChem CID:

50208673

Reduced:

ClO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

758.396725

ΔHf, kcal/mol:

-235.12

Dipole, Da:

6.49

IP(EA), eV:

 -9.12(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3,4-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C(=O)N5CCCCC5)Cl)C

DOS

IR

Vibrations