Geometry & MOs

Info

ID:	193865
PubChem CID:	78448913
Reduced:	N2O7C19H23 (1)
Stoich.:	A2B7C19D23 (1)
Weight, g/mol:	412.163436
ΔH_f, kcal/mol:	-264.29
Dipole, Da:	3.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.933090
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OCC(=O)[O-])OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations