Geometry & MOs

Info

ID:	180129
PubChem CID:	76582782
Reduced:	ClSN3O3C24H24 (1)
Stoich.:	ABC3D3E24F24 (1)
Weight, g/mol:	463.192963
ΔH_f, kcal/mol:	-69.51
Dipole, Da:	4.05
IP(EA), eV:	-8.95(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4)Cl

DOS

IR

Vibrations