Geometry & MOs

Info

ID:	38988
PubChem CID:	8138299
Reduced:	SO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	410.177647
ΔH_f, kcal/mol:	3.5
Dipole, Da:	5.4
IP(EA), eV:	-8.71(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-ethyl-2-[[5-(2-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC

DOS

IR

Vibrations