Geometry & MOs

Info

ID:	33418
PubChem CID:	7886365
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	361.128255
ΔH_f, kcal/mol:	-154.26
Dipole, Da:	2.36
IP(EA), eV:	-8.69(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@]2(C(=O)N(C(=O)N2)CC(=O)C3=C(C=CC(=C3)OC)OC)C

DOS

IR

Vibrations