Geometry & MOs

Info

ID:	237225
PubChem CID:	92717934
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	486.175933
ΔH_f, kcal/mol:	-133.18
Dipole, Da:	6.88
IP(EA), eV:	-9.09(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1-adamantylcarbamoyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)N[C@@H](C)C3=CC=CC=C3OC

DOS

IR

Vibrations