Geometry & MOs

Info

ID:	433529
PubChem CID:	135173668
Reduced:	SN8O9C49H60 (1)
Stoich.:	AB8C9D49E60 (1)
Weight, g/mol:	202.046379
ΔH_f, kcal/mol:	-226.39
Dipole, Da:	1.48
IP(EA), eV:	-8.9(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylsulfinyl-3-fluorophenyl)methanol

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCOCCN4C=C(C(=N4)C5=CC=NC=C5)C6=CC7=C(C=C6)/C(=N/O)/CC7)O

DOS

IR

Vibrations