Geometry & MOs

Info

ID:	41645
PubChem CID:	8146677
Reduced:	O2S2N3H17C18 (1)
Stoich.:	A2B2C3D17E18 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	5.8
Dipole, Da:	2.43
IP(EA), eV:	-8.53(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)CN[C@H](C)C4=CC=CO4

DOS

IR

Vibrations