Geometry & MOs

Info

ID:	131657
PubChem CID:	51239586
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	356.119464
ΔH_f, kcal/mol:	-111.8
Dipole, Da:	4.58
IP(EA), eV:	-9.25(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1C2=C(CCN1C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCCOC)SC=C2

DOS

IR

Vibrations