Geometry & MOs

Info

ID:	449419
PubChem CID:	135298441
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	590.114808
ΔH_f, kcal/mol:	-134.0
Dipole, Da:	2.36
IP(EA), eV:	-9.49(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[2-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]pyridin-3-yl]ethynyl]phenyl]methoxy]thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C(=O)[C@@](C)(C1(CC1)C)OC(=O)N(C)C

DOS

IR

Vibrations