Geometry & MOs

Info

ID:	137852
PubChem CID:	52272925
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	402.208947
ΔH_f, kcal/mol:	-127.58
Dipole, Da:	3.11
IP(EA), eV:	-8.93(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)CCN1C2=CC=CC=C2C(=O)NC1=O)CN3CCCC3

DOS

IR

Vibrations