Geometry & MOs

Info

ID:	236877
PubChem CID:	92715259
Reduced:	N2O3C27H30 (1)
Stoich.:	A2B3C27D30 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	2.6
IP(EA), eV:	-8.14(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethyl-1,3-thiazol-2-yl)-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=N[C@@H](N[C@@H](C2)C3=C(C(=CC=C3)OCC)O)C4=CC=CC=C4OC

DOS

IR

Vibrations