Geometry & MOs

Info

ID:	394242
PubChem CID:	135022609
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	488.096345
ΔH_f, kcal/mol:	-37.39
Dipole, Da:	2.77
IP(EA), eV:	-9.11(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)sulfonyloxymethyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1([C@@H](N[C@@H]([C@@H]2C1=CC=C2)C3=CC=CC=C3)C(=O)OC)C

DOS

IR

Vibrations