Geometry & MOs

Info

ID:	326781
PubChem CID:	126688192
Reduced:	SN6O6C19H20 (1)
Stoich.:	AB6C6D19E20 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-120.05
Dipole, Da:	3.61
IP(EA), eV:	-8.87(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-2-methylcyclopropyl]-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@H]1NC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@H]([C@@]6([C@@H](C6OS(=O)(=O)N)O5)O)O

DOS

IR

Vibrations