Geometry & MOs

Info

ID:	152283
PubChem CID:	56311180
Reduced:	N4O5C24H28 (1)
Stoich.:	A4B5C24D28 (1)
Weight, g/mol:	460.178041
ΔH_f, kcal/mol:	-134.95
Dipole, Da:	6.86
IP(EA), eV:	-8.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations