Geometry & MOs

Info

ID:	42517
PubChem CID:	8149653
Reduced:	FOSN4C23H29 (1)
Stoich.:	ABCD4E23F29 (1)
Weight, g/mol:	412.115344
ΔH_f, kcal/mol:	-54.84
Dipole, Da:	1.5
IP(EA), eV:	-8.75(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations