Geometry & MOs

Info

ID:	173301
PubChem CID:	75621178
Reduced:	S2N3O3C18H19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	351.104148
ΔH_f, kcal/mol:	-42.88
Dipole, Da:	3.11
IP(EA), eV:	-8.98(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1C2=C(CCN1CC3=NC(=O)C4C(=C(SC4=N3)C(=O)OC)C)SC=C2

DOS

IR

Vibrations