Geometry & MOs

Info

ID:	309377
PubChem CID:	126545813
Reduced:	NC25H47 (1)
Stoich.:	AB25C47 (1)
Weight, g/mol:	538.165284
ΔH_f, kcal/mol:	-82.09
Dipole, Da:	1.42
IP(EA), eV:	-8.63(3.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-4-[(3-chlorophenyl)-[(5-methoxycarbonylpyridin-2-yl)methyl]sulfamoyl]-2-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCCC(CCC)C1C2CC(CCC2NC1C(CC)C3CCCCC3)C

DOS

IR

Vibrations