Geometry & MOs

Info

ID:	42598
PubChem CID:	8149753
Reduced:	N2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	384.174573
ΔH_f, kcal/mol:	69.39
Dipole, Da:	2.64
IP(EA), eV:	-8.72(0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)[C@H](CNC1=NC=CC=N1)C2=CC=CC=C2

DOS

IR

Vibrations