Geometry & MOs

Info

ID:	125525
PubChem CID:	50927655
Reduced:	ClSO2N4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	401.072865
ΔH_f, kcal/mol:	-60.15
Dipole, Da:	1.76
IP(EA), eV:	-8.78(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylpyrimidin-4-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=C(C=C(C=C3)C)Cl

DOS

IR

Vibrations