Geometry & MOs

Info

ID:	152087
PubChem CID:	56310944
Reduced:	N2O4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	460.178041
ΔH_f, kcal/mol:	-120.64
Dipole, Da:	7.52
IP(EA), eV:	-8.61(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=CC(=O)OC3=C2C=CC(=C3C)C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations