Geometry & MOs

Info

ID:	380208
PubChem CID:	134970570
Reduced:	O4H22C25 (1)
Stoich.:	A4B22C25 (1)
Weight, g/mol:	431.136887
ΔH_f, kcal/mol:	-79.53
Dipole, Da:	2.96
IP(EA), eV:	-9.58(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1S,2R)-2-methoxycarbonyl-2-(4-nitrophenyl)-3-phenylcyclopropyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)[C@@H]2C([C@@]2(C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations