Geometry & MOs

Info

ID:	38758
PubChem CID:	8137879
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-38.33
Dipole, Da:	4.2
IP(EA), eV:	-8.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H]4CCCO4)C

DOS

IR

Vibrations