Geometry & MOs

Info

ID:	133091
PubChem CID:	51474920
Reduced:	SO4N5C24H25 (1)
Stoich.:	AB4C5D24E25 (1)
Weight, g/mol:	487.167811
ΔH_f, kcal/mol:	-74.17
Dipole, Da:	9.91
IP(EA), eV:	-8.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-4-[[(2S)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]amino]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)OC)CSC3=NN=CN3C4=CC=CC=C4C

DOS

IR

Vibrations