Geometry & MOs

Info

ID:	140432
PubChem CID:	52695948
Reduced:	N2O3H26C27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-26.47
Dipole, Da:	2.53
IP(EA), eV:	-8.41(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-butanoylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C1C(=O)N3CCC4=CC(=C(C=C4[C@H]3C5=CC=CC=C5)OC)OC

DOS

IR

Vibrations