Geometry & MOs

Info

ID:	133083
PubChem CID:	51474859
Reduced:	SO2N4C21H30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	466.128646
ΔH_f, kcal/mol:	-41.29
Dipole, Da:	3.01
IP(EA), eV:	-8.91(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S[C@H](C)C(=O)N(C)C2CCCCC2)C3=CC=CC=C3OC

DOS

IR

Vibrations