Geometry & MOs

Info

ID:	139861
PubChem CID:	52609298
Reduced:	N2O3C20H33 (1)
Stoich.:	A2B3C20D33 (1)
Weight, g/mol:	450.196628
ΔH_f, kcal/mol:	-117.55
Dipole, Da:	3.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.174390
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)NCC[NH+]2CCCC[C@H]2C)OCC

DOS

IR

Vibrations