Geometry & MOs

Info

ID:	172578
PubChem CID:	75526718
Reduced:	N2O5C15H22 (1)
Stoich.:	A2B5C15D22 (1)
Weight, g/mol:	322.152872
ΔH_f, kcal/mol:	-213.51
Dipole, Da:	6.23
IP(EA), eV:	-8.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)NC1=C(C=C(C=C1)OC)OC

DOS

IR

Vibrations