Geometry & MOs

Info

ID:	339472
PubChem CID:	127261405
Reduced:	N3O6H23C24 (1)
Stoich.:	A3B6C23D24 (1)
Weight, g/mol:	431.148121
ΔH_f, kcal/mol:	-157.63
Dipole, Da:	3.05
IP(EA), eV:	-9.29(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[3-[methyl-(2-oxo-1,3-benzoxazol-3-yl)amino]benzoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)N3C4=CC=CC=C4OC3=O.O

DOS

IR

Vibrations