Geometry & MOs

Info

ID:	314180
PubChem CID:	126620810
Reduced:	SO2N5H17C21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	414.115047
ΔH_f, kcal/mol:	45.0
Dipole, Da:	6.48
IP(EA), eV:	-9.05(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[3-(9H-carbazol-2-yl)-5-methylphenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=NC(=NN2)SCC(=O)O)C3=C(C4=C(C=C3)NC(=C4)C#N)C

DOS

IR

Vibrations