Geometry & MOs

Info

ID:	68877
PubChem CID:	46510978
Reduced:	N3O6C22H23 (1)
Stoich.:	A3B6C22D23 (1)
Weight, g/mol:	402.044106
ΔH_f, kcal/mol:	-138.57
Dipole, Da:	7.11
IP(EA), eV:	-8.55(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=NO1)COC2=CC=CC=C2C(=O)OCC(=O)NCCC3=CC=C(C=C3)OC

DOS

IR

Vibrations