Geometry & MOs

Info

ID:	27783
PubChem CID:	823532
Reduced:	N2O4H12C19 (1)
Stoich.:	A2B4C12D19 (1)
Weight, g/mol:	229.088498
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	3.88
IP(EA), eV:	-9.01(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5S)-4-acetyl-5-ethyl-5-methyl-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C(=O)C(=CC4=CC=CO4)C(=O)NC3=O

DOS

IR

Vibrations