Geometry & MOs

Info

ID:	34398
PubChem CID:	7891108
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	337.091869
ΔH_f, kcal/mol:	-166.26
Dipole, Da:	5.37
IP(EA), eV:	-9.15(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=C(C5=CC=CC=C5C=C4)O

DOS

IR

Vibrations