Geometry & MOs

Info

ID:	93836
PubChem CID:	49997088
Reduced:	FO3N4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	561.331505
ΔH_f, kcal/mol:	-169.42
Dipole, Da:	9.42
IP(EA), eV:	-8.83(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methylcarbamoyl)phenyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)F)C

DOS

IR

Vibrations