Geometry & MOs

Info

ID:	237202
PubChem CID:	92717885
Reduced:	SN3O5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	464.134068
ΔH_f, kcal/mol:	-110.33
Dipole, Da:	6.6
IP(EA), eV:	-8.45(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=C(C=C1)NC(=O)C(C)C)SC2=NN=C(O2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations