Geometry & MOs

Info

ID:	42178
PubChem CID:	8149273
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	389.201122
ΔH_f, kcal/mol:	-85.53
Dipole, Da:	4.52
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@@H](C)NCCCN4CCCC4=O

DOS

IR

Vibrations