Geometry & MOs

Info

ID:	379447
PubChem CID:	134419522
Reduced:	O4S4H38C41 (1)
Stoich.:	A4B4C38D41 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	162.94
Dipole, Da:	4.18
IP(EA), eV:	-8.28(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,2-dimethylpropyl)-3-(2-hydroxyacetyl)phenyl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

CC1(C2=CC=CC3=C(CSSCC4CC5=C6C7=CC(=CC6=C4)CS[C@@]1(OC7)SCC8=CC9=C(C=C8)C(=CC=C9)C(OC5)(C)O)C=CC=C32)O

DOS

IR

Vibrations