Geometry & MOs

Info

ID:	106635
PubChem CID:	50171075
Reduced:	FO3N4C30H39 (1)
Stoich.:	AB3C4D30E39 (1)
Weight, g/mol:	547.315855
ΔH_f, kcal/mol:	-177.46
Dipole, Da:	10.39
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-methylphenyl)-1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations