Geometry & MOs

Info

ID:	444845
PubChem CID:	135263730
Reduced:	SO3N4C23H32 (1)
Stoich.:	AB3C4D23E32 (1)
Weight, g/mol:	386.093643
ΔH_f, kcal/mol:	-113.38
Dipole, Da:	2.34
IP(EA), eV:	-9.27(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)benzoate

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)C(C)NC(=O)[C@H]3C[C@H](CN3C(=O)C(C(C)(C)C)N)O

DOS

IR

Vibrations