Geometry & MOs

Info

ID:	62198
PubChem CID:	26718002
Reduced:	O2S2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	454.059189
ΔH_f, kcal/mol:	-9.36
Dipole, Da:	8.07
IP(EA), eV:	-9.09(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](CNC(=O)CC1=CSC(=N1)NC(=O)C2=CC=CS2)C3=CC=CC=C3

DOS

IR

Vibrations