Geometry & MOs

Info

ID:	92676
PubChem CID:	49988944
Reduced:	N5O5C32H43 (1)
Stoich.:	A5B5C32D43 (1)
Weight, g/mol:	561.331505
ΔH_f, kcal/mol:	-205.43
Dipole, Da:	6.17
IP(EA), eV:	-8.71(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations