Geometry & MOs

Info

ID:	195100
PubChem CID:	78635751
Reduced:	N2O5C24H26 (1)
Stoich.:	A2B5C24D26 (1)
Weight, g/mol:	419.148121
ΔH_f, kcal/mol:	-135.64
Dipole, Da:	4.29
IP(EA), eV:	-8.48(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C)OC

DOS

IR

Vibrations