Geometry & MOs

Info

ID:	33416
PubChem CID:	7886348
Reduced:	OS2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	373.091869
ΔH_f, kcal/mol:	12.38
Dipole, Da:	1.04
IP(EA), eV:	-8.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)SC3=NC=NC4=C3C5=C(S4)CCCC5

DOS

IR

Vibrations