Geometry & MOs

Info

ID:	30081
PubChem CID:	839508
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	335.093977
ΔH_f, kcal/mol:	-105.56
Dipole, Da:	0.97
IP(EA), eV:	-9.01(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(2S)-5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)C)C(=O)O

DOS

IR

Vibrations