Geometry & MOs

Info

ID:	132072
PubChem CID:	51302371
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	384.071468
ΔH_f, kcal/mol:	-98.27
Dipole, Da:	3.64
IP(EA), eV:	-9.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC(C(=O)NCCCOCC1CC1)NC(=O)C2=CC=CS2

DOS

IR

Vibrations