Geometry & MOs

Info

ID:	135436
PubChem CID:	51870413
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	384.101802
ΔH_f, kcal/mol:	-0.32
Dipole, Da:	3.95
IP(EA), eV:	-9.1(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N(C)C(=O)CC2=CSC(=N2)C3=CC=CO3

DOS

IR

Vibrations