Geometry & MOs

Info

ID:	147561
PubChem CID:	53787217
Reduced:	N2O7C23H26 (1)
Stoich.:	A2B7C23D26 (1)
Weight, g/mol:	390.088557
ΔH_f, kcal/mol:	-240.81
Dipole, Da:	4.65
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[6-[(4-methylphenyl)sulfonylamino]-7-oxocyclohepta-1,3,5-trien-1-yl]amino]-2-oxoacetate

Drug info:

PubChemData

Smile

C[C@H](C1C2C3CCC4=C(C3=CN2C1=O)C(=CC(=C4)OCCNC(=O)OCC=C)C(=O)O)O

DOS

IR

Vibrations