Geometry & MOs

Info

ID:	231089
PubChem CID:	87572606
Reduced:	SN3O4C20H29 (1)
Stoich.:	AB3C4D20E29 (1)
Weight, g/mol:	655.125849
ΔH_f, kcal/mol:	-83.54
Dipole, Da:	2.11
IP(EA), eV:	-8.49(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(azetidine-1-carbonyl)phenoxy]-1,3-thiazol-2-yl]-2-(2,4-difluorophenoxy)-2-[4-(oxolan-3-ylsulfonyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCNC(C1)C(=S(=O)=O)OCC(=O)N2CCCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations