Geometry & MOs

Info

ID:	42894
PubChem CID:	8150149
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	429.208613
ΔH_f, kcal/mol:	-105.37
Dipole, Da:	2.04
IP(EA), eV:	-8.29(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-diethoxyanilino)methyl]-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC[C@@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CNC3=CC(=C(C=C3)OCC)OCC)C

DOS

IR

Vibrations