Geometry & MOs

Info

ID:	95618
PubChem CID:	50010740
Reduced:	ClO4N5C29H38 (1)
Stoich.:	AB4C5D29E38 (1)
Weight, g/mol:	479.253255
ΔH_f, kcal/mol:	-171.98
Dipole, Da:	10.75
IP(EA), eV:	-9.11(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamoyl-6-methylphenyl)-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)C)Cl

DOS

IR

Vibrations