Geometry & MOs

Info

ID:	237313
PubChem CID:	92718200
Reduced:	BrN3O4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	390.967453
ΔH_f, kcal/mol:	-129.52
Dipole, Da:	6.89
IP(EA), eV:	-8.71(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCNC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC=CC=C3Br

DOS

IR

Vibrations