Geometry & MOs

Info

ID:	115762
PubChem CID:	50533227
Reduced:	ClO4N5C30H32 (1)
Stoich.:	AB4C5D30E32 (1)
Weight, g/mol:	567.261232
ΔH_f, kcal/mol:	-101.36
Dipole, Da:	4.35
IP(EA), eV:	-8.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[5-(cyclohexylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations