Geometry & MOs

Info

ID:	395053
PubChem CID:	135024525
Reduced:	Br2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	388.066383
ΔH_f, kcal/mol:	-128.97
Dipole, Da:	4.48
IP(EA), eV:	-10.39(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1CCC(C(C1)O[C@@H]2C(=C(C(=O)O2)Br)Br)C(C)C

DOS

IR

Vibrations