Geometry & MOs

Info

ID:	133133
PubChem CID:	51481585
Reduced:	SN5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	449.180684
ΔH_f, kcal/mol:	98.56
Dipole, Da:	15.97
IP(EA), eV:	-5.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyethyl)-2-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=S)NCC2=C[NH+]=C(C=C2)N3CC[NH+](CC3)C)C

DOS

IR

Vibrations