Geometry & MOs

Info

ID:	33198
PubChem CID:	7885364
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	412.163436
ΔH_f, kcal/mol:	-115.13
Dipole, Da:	4.8
IP(EA), eV:	-8.63(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[2-[(3,4-dimethylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)CN1C=NC2=C(C1=O)C3=C(S2)C[C@@H](CC3)C

DOS

IR

Vibrations