Geometry & MOs

Info

ID:	128689
PubChem CID:	51054134
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	389.134403
ΔH_f, kcal/mol:	-9.02
Dipole, Da:	3.33
IP(EA), eV:	-9.15(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCC1=C(SC(=N1)N2C=CC=C2)C(=O)NC(C)C

DOS

IR

Vibrations