Geometry & MOs

Info

ID:	367776
PubChem CID:	127325802
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	314.120132
ΔH_f, kcal/mol:	-110.17
Dipole, Da:	5.93
IP(EA), eV:	-9.44(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2(CCC2)NC(=O)C3CCC4(CC3)C(=O)NC(=O)N4

DOS

IR

Vibrations