Geometry & MOs

Info

ID:	42594
PubChem CID:	8149749
Reduced:	OSN3C17H25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	384.174573
ΔH_f, kcal/mol:	-48.69
Dipole, Da:	3.02
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl-[(1R)-1-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NCC(C)C

DOS

IR

Vibrations