Geometry & MOs

Info

ID:	95298
PubChem CID:	50007931
Reduced:	ClO4N5C30H32 (1)
Stoich.:	AB4C5D30E32 (1)
Weight, g/mol:	557.263819
ΔH_f, kcal/mol:	-118.44
Dipole, Da:	10.9
IP(EA), eV:	-8.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations