Geometry & MOs

Info

ID:	153191
PubChem CID:	56312343
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	474.193691
ΔH_f, kcal/mol:	-134.49
Dipole, Da:	3.48
IP(EA), eV:	-8.72(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC=C1)NC(=O)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations