Geometry & MOs

Info

ID:	336001
PubChem CID:	127255008
Reduced:	O3N6C18H22 (1)
Stoich.:	A3B6C18D22 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-64.88
Dipole, Da:	5.9
IP(EA), eV:	-9.01(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCNC3=NC=NN3C)C(=O)N)C4=CC=CC=C4O2

DOS

IR

Vibrations