Geometry & MOs

Info

ID:	242838
PubChem CID:	99213308
Reduced:	ClSO2N6H15C19 (1)
Stoich.:	ABC2D6E15F19 (1)
Weight, g/mol:	445.96037
ΔH_f, kcal/mol:	67.06
Dipole, Da:	3.54
IP(EA), eV:	-9.03(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-methylindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)CN=C(N2)C(=O)NC3=NN=C(S3)C4=CC=CC=C4Cl

DOS

IR

Vibrations