Geometry & MOs

Info

ID:	42603
PubChem CID:	8149759
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	397.091869
ΔH_f, kcal/mol:	-48.43
Dipole, Da:	1.6
IP(EA), eV:	-8.52(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-[(4-methoxyphenyl)methylamino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations