Geometry & MOs

Info

ID:	343397
PubChem CID:	127266570
Reduced:	N2O3C17H26 (1)
Stoich.:	A2B3C17D26 (1)
Weight, g/mol:	397.109627
ΔH_f, kcal/mol:	-113.04
Dipole, Da:	1.97
IP(EA), eV:	-8.72(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-acetylazetidin-3-yl)oxy-N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1(CCOC1)C(=O)NC2=CC=C(C=C2)CCN(C)C

DOS

IR

Vibrations