Geometry & MOs

Info

ID:	56440
PubChem CID:	17425466
Reduced:	ClOS2N4H11C14 (1)
Stoich.:	ABC2D4E11F14 (1)
Weight, g/mol:	368.094312
ΔH_f, kcal/mol:	42.38
Dipole, Da:	0.96
IP(EA), eV:	-8.88(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC=NC3=C2SC=C3

DOS

IR

Vibrations