Geometry & MOs

Info

ID:	380207
PubChem CID:	134970569
Reduced:	SO2H18C21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	386.151809
ΔH_f, kcal/mol:	12.65
Dipole, Da:	1.43
IP(EA), eV:	-9.13(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1S,2R)-2-methoxycarbonyl-2,3-diphenylcyclopropyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)[C@]1([C@@H](C1C2=CC=CC=C2)C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations