Geometry & MOs

Info

ID:	38905
PubChem CID:	8138141
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	336.089226
ΔH_f, kcal/mol:	-123.11
Dipole, Da:	3.02
IP(EA), eV:	-8.57(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)O[C@H](C2=CC=CC=C2)C(=O)N(C)C)C

DOS

IR

Vibrations