Geometry & MOs

Info

ID:	180130
PubChem CID:	76582783
Reduced:	SN3O3C26H29 (1)
Stoich.:	AB3C3D26E29 (1)
Weight, g/mol:	446.141262
ΔH_f, kcal/mol:	-76.98
Dipole, Da:	1.95
IP(EA), eV:	-8.51(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[4-(1H-indol-6-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations