Geometry & MOs

Info

ID:	93999
PubChem CID:	49998020
Reduced:	ClO4N5C30H40 (1)
Stoich.:	AB4C5D30E40 (1)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	-191.64
Dipole, Da:	7.58
IP(EA), eV:	-8.47(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamido-4-methylphenyl)-1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C(C)C)Cl

DOS

IR

Vibrations