Geometry & MOs

Info

ID:	351104
PubChem CID:	127279662
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	385.103103
ΔH_f, kcal/mol:	-0.54
Dipole, Da:	10.32
IP(EA), eV:	-8.79(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)C4=CC5=C(S4)CCOC5

DOS

IR

Vibrations