Geometry & MOs

Info

ID:	188137
PubChem CID:	77672171
Reduced:	NSO8C23H27 (1)
Stoich.:	ABC8D23E27 (1)
Weight, g/mol:	448.156912
ΔH_f, kcal/mol:	-281.92
Dipole, Da:	2.66
IP(EA), eV:	-8.74(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CCC1=CC(=C(S1)NC(=O)COC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)OCC

DOS

IR

Vibrations