Geometry & MOs

Info

ID:	197903
PubChem CID:	79013129
Reduced:	SN3O3C12H19 (1)
Stoich.:	AB3C3D12E19 (1)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-116.68
Dipole, Da:	5.36
IP(EA), eV:	-9.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-propyl-3,4-dihydro-2H-chromen-4-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1S(=O)(=O)N)NC(=O)[C@@H](C(C)C)N

DOS

IR

Vibrations