Geometry & MOs

Info

ID:	155890
PubChem CID:	56368152
Reduced:	N2S2O6C23H30 (1)
Stoich.:	A2B2C6D23E30 (1)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	-209.14
Dipole, Da:	10.71
IP(EA), eV:	-9.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)CCOC

DOS

IR

Vibrations