Geometry & MOs

Info

ID:	149353
PubChem CID:	53789025
Reduced:	NSO4C23H31 (1)
Stoich.:	ABC4D23E31 (1)
Weight, g/mol:	588.403942
ΔH_f, kcal/mol:	-140.97
Dipole, Da:	4.12
IP(EA), eV:	-9.62(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenylmethoxyanilino]piperidin-1-yl]-1-oxopentan-2-yl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CS(=O)(=O)NC2C3CCC(C3)C2CC=CCCCC(=O)O

DOS

IR

Vibrations