Geometry & MOs

Info

ID:	392990
PubChem CID:	135018835
Reduced:	O5C22H34 (1)
Stoich.:	A5B22C34 (1)
Weight, g/mol:	322.043043
ΔH_f, kcal/mol:	-214.31
Dipole, Da:	6.67
IP(EA), eV:	-9.46(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-chlorophenyl)-3-hydroxy-3-thiophen-2-ylcyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C2CC[C@@]3(CC[C@@H]4[C@]([C@H]3[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)O)(CO4)O)C

DOS

IR

Vibrations