Geometry & MOs

Info

ID:	364560
PubChem CID:	127315812
Reduced:	ON5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	40.3
Dipole, Da:	5.2
IP(EA), eV:	-8.43(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CN2)C3=NC=C(C=C3)C(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations