Geometry & MOs

Info

ID:	252886
PubChem CID:	103114784
Reduced:	ClN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	312.008389
ΔH_f, kcal/mol:	-4.16
Dipole, Da:	4.94
IP(EA), eV:	-10.23(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(2-methyl-3-nitrophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations