Geometry & MOs

Info

ID:	42909
PubChem CID:	8150174
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-44.44
Dipole, Da:	1.48
IP(EA), eV:	-8.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-methyl-2-[(1S)-1-[methyl(2-phenoxyethyl)amino]ethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@@H](C)N(C)CCOC4=CC=CC=C4

DOS

IR

Vibrations