Geometry & MOs

Info

ID:	42306
PubChem CID:	8149417
Reduced:	N2O3C18H28 (1)
Stoich.:	A2B3C18D28 (1)
Weight, g/mol:	292.148359
ΔH_f, kcal/mol:	-96.4
Dipole, Da:	5.63
IP(EA), eV:	-8.75(0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl-[(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

CC(C)CN(CCC#N)C[C@@H](COCC1=CC=C(C=C1)OC)O

DOS

IR

Vibrations