Geometry & MOs

Info

ID:	382217
PubChem CID:	134973216
Reduced:	NO3C21H40 (1)
Stoich.:	AB3C21D40 (1)
Weight, g/mol:	438.263091
ΔH_f, kcal/mol:	-182.92
Dipole, Da:	6.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757715
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1(CCC(N1[O])(C)C)CCC(=O)O

DOS

IR

Vibrations