Geometry & MOs

Info

ID:	36944
PubChem CID:	8015172
Reduced:	N3O4H13C20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	261.093583
ΔH_f, kcal/mol:	32.57
Dipole, Da:	2.05
IP(EA), eV:	-9.41(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=C(N2)/C=C/C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations