Geometry & MOs

Info

ID:	36601
PubChem CID:	8009367
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-155.89
Dipole, Da:	7.27
IP(EA), eV:	-8.59(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-2-yl]-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=O)OCC(=O)NC(=O)NC2=C(C=C(C=C2)C)C

DOS

IR

Vibrations