Geometry & MOs

Info

ID:	42070
PubChem CID:	8149147
Reduced:	ClOS2N3H16C19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	389.156184
ΔH_f, kcal/mol:	29.6
Dipole, Da:	3.89
IP(EA), eV:	-8.71(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N[C@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)Cl

DOS

IR

Vibrations