Geometry & MOs

Info

ID:	135481
PubChem CID:	51878724
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-23.8
Dipole, Da:	1.38
IP(EA), eV:	-8.46(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(N2CC=C)S[C@H](C)C(=O)N(C)C3CCCCC3

DOS

IR

Vibrations