Geometry & MOs

Info

ID:	351062
PubChem CID:	127279499
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	383.151492
ΔH_f, kcal/mol:	-74.38
Dipole, Da:	5.51
IP(EA), eV:	-8.83(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations