Geometry & MOs

Info

ID:	97546
PubChem CID:	50032514
Reduced:	O4N5C31H35 (1)
Stoich.:	A4B5C31D35 (1)
Weight, g/mol:	569.300205
ΔH_f, kcal/mol:	-115.26
Dipole, Da:	13.61
IP(EA), eV:	-8.58(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2,6-dimethylanilino)-3-oxopropyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations