Geometry & MOs

Info

ID:	92571
PubChem CID:	49988150
Reduced:	ClO4N5C30H38 (1)
Stoich.:	AB4C5D30E38 (1)
Weight, g/mol:	625.32642
ΔH_f, kcal/mol:	-173.43
Dipole, Da:	7.25
IP(EA), eV:	-8.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-[(2-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations