Geometry & MOs

Info

ID:	122967
PubChem CID:	50828915
Reduced:	S2N4O5C21H24 (1)
Stoich.:	A2B4C5D21E24 (1)
Weight, g/mol:	406.146347
ΔH_f, kcal/mol:	-89.78
Dipole, Da:	7.98
IP(EA), eV:	-8.59(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-N-phenyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CSC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations