Geometry & MOs

Info

ID:	157892
PubChem CID:	56458802
Reduced:	S2O3N4C22H22 (1)
Stoich.:	A2B3C4D22E22 (1)
Weight, g/mol:	442.113333
ΔH_f, kcal/mol:	-70.9
Dipole, Da:	4.54
IP(EA), eV:	-8.81(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CSCN2C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C)C

DOS

IR

Vibrations