Geometry & MOs

Info

ID:	104956
PubChem CID:	50106048
Reduced:	ClO4N5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	585.295119
ΔH_f, kcal/mol:	-148.1
Dipole, Da:	4.72
IP(EA), eV:	-9.27(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[(4-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)N

DOS

IR

Vibrations