Geometry & MOs

Info

ID:	49229
PubChem CID:	11532124
Reduced:	NO5C26H27 (1)
Stoich.:	AB5C26D27 (1)
Weight, g/mol:	433.163555
ΔH_f, kcal/mol:	-155.22
Dipole, Da:	4.75
IP(EA), eV:	-9.09(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-(3-aminopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3-yl]-2-ethoxypropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(C)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)OC(C)(C)C(=O)O

DOS

IR

Vibrations