Geometry & MOs

Info

ID:	133075
PubChem CID:	51474325
Reduced:	N3S3O4C18H23 (1)
Stoich.:	A3B3C4D18E23 (1)
Weight, g/mol:	452.097683
ΔH_f, kcal/mol:	-110.04
Dipole, Da:	4.86
IP(EA), eV:	-9.11(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyclopropyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=C(S2)CNC(=O)NCCSC3=CC=CC=C3

DOS

IR

Vibrations