Geometry & MOs

Info

ID:	89376
PubChem CID:	49961261
Reduced:	ClNO2C9H9 (2)
Stoich.:	ABC2D9E9 (2)
Weight, g/mol:	622.05693
ΔH_f, kcal/mol:	-117.73
Dipole, Da:	2.88
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]carbamothioyl]-3-iodo-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC(=O)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations