Geometry & MOs

Info

ID:	56448
PubChem CID:	17425487
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	318.115047
ΔH_f, kcal/mol:	-49.2
Dipole, Da:	3.81
IP(EA), eV:	-8.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(carbamoylamino)methyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4CCOCC4

DOS

IR

Vibrations