Geometry & MOs

Info

ID:	335177
PubChem CID:	127254038
Reduced:	SO3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	467.158017
ΔH_f, kcal/mol:	-107.83
Dipole, Da:	9.54
IP(EA), eV:	-8.24(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-1-benzofuran-7-yl]-3-methoxy-3-oxopropyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2CCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4

DOS

IR

Vibrations