Geometry & MOs

Info

ID:	176798
PubChem CID:	76101379
Reduced:	SO3N5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	364.132
ΔH_f, kcal/mol:	-100.42
Dipole, Da:	5.22
IP(EA), eV:	-8.89(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-methyl-4-(4-methylsulfanylphenyl)-5-(2,2,2-trifluoroethyl)-1,3-dioxolan-4-ol

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1CCC3C2C(NC3)CCC4CC5C6C(C(=O)NC(=O)N6)SC5NN4

DOS

IR

Vibrations