Geometry & MOs

Info

ID:	345333
PubChem CID:	127269609
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	379.135448
ΔH_f, kcal/mol:	-106.09
Dipole, Da:	1.93
IP(EA), eV:	-8.32(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-yl)-N-(3,4-dihydro-2H-chromen-6-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)N3CCNC(=O)C3)OC1

DOS

IR

Vibrations