Geometry & MOs

Info

ID:

115969

PubChem CID:

50541392

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-182.17

Dipole, Da:

8.67

IP(EA), eV:

 -8.78(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(C)C)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations