Geometry & MOs

Info

ID:	33427
PubChem CID:	7886399
Reduced:	NO2H5C6 (3)
Stoich.:	AB2C5D6 (3)
Weight, g/mol:	293.065654
ΔH_f, kcal/mol:	-85.75
Dipole, Da:	8.67
IP(EA), eV:	-8.91(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations