Geometry & MOs

Info

ID:	38895
PubChem CID:	8138127
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	398.104876
ΔH_f, kcal/mol:	-88.75
Dipole, Da:	3.59
IP(EA), eV:	-8.61(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylphenyl)-4-[(1H-pyrrole-2-carbonylamino)carbamoyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)[C@@H](C)OC(=O)COC3=CC(=C(C=C3)C)C

DOS

IR

Vibrations