Geometry & MOs

Info

ID:	64642
PubChem CID:	29203720
Reduced:	N2S2O5H20C21 (1)
Stoich.:	A2B2C5D20E21 (1)
Weight, g/mol:	391.141973
ΔH_f, kcal/mol:	-114.65
Dipole, Da:	9.64
IP(EA), eV:	-9.38(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methyl-2-oxochromen-4-yl)methyl (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)OC(=O)C=C2CSC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N(C)C

DOS

IR

Vibrations