Geometry & MOs

Info

ID:	217606
PubChem CID:	85088094
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	381.125946
ΔH_f, kcal/mol:	-42.27
Dipole, Da:	5.89
IP(EA), eV:	-8.87(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)-2-[4-(triazol-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1C(NC(S1)C2=CN=CC=C2)C(=O)C3=CN(C4=CC=CC=C43)CCC(=O)O

DOS

IR

Vibrations