Geometry & MOs

Info

ID:	157689
PubChem CID:	56436509
Reduced:	N2O4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	421.106474
ΔH_f, kcal/mol:	-181.62
Dipole, Da:	1.7
IP(EA), eV:	-8.42(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OC2CCN(CC2)C(=O)CNC(=O)CCC(C)C

DOS

IR

Vibrations