Geometry & MOs

Info

ID:	33218
PubChem CID:	7885453
Reduced:	SN2O3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-61.21
Dipole, Da:	0.65
IP(EA), eV:	-8.69(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-3-[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations