Geometry & MOs

Info

ID:	244441
PubChem CID:	99351102
Reduced:	SN3O5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-148.93
Dipole, Da:	5.71
IP(EA), eV:	-7.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations