Geometry & MOs

Info

ID:	140030
PubChem CID:	52634338
Reduced:	O2S2N4C21H26 (1)
Stoich.:	A2B2C4D21E26 (1)
Weight, g/mol:	378.151433
ΔH_f, kcal/mol:	-56.38
Dipole, Da:	8.96
IP(EA), eV:	-8.43(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-methoxypropylsulfanyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-ylidene]indole

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C)C

DOS

IR

Vibrations