Geometry & MOs

Info

ID:	40838
PubChem CID:	8144798
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	24.23
Dipole, Da:	8.11
IP(EA), eV:	-9.56(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CN2CCC(CC2)CC3=CC=CC=C3)C)[N+](=O)[O-]

DOS

IR

Vibrations