Geometry & MOs

Info

ID:	426311
PubChem CID:	135143318
Reduced:	FO2N3C24H32 (1)
Stoich.:	AB2C3D24E32 (1)
Weight, g/mol:	212.087101
ΔH_f, kcal/mol:	-106.15
Dipole, Da:	2.61
IP(EA), eV:	-9.2(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(4-methylsulfanylphenyl)propane-1,2-diol

Drug info:

PubChemData

Smile

CC1C=C(C=CC1C2(C(=O)N(C(N2C(=O)NC)C(C)(C)C)C)CC3=CC=CC=C3)F

DOS

IR

Vibrations