Geometry & MOs

Info

ID:	149409
PubChem CID:	53789082
Reduced:	OPN3C12H28 (1)
Stoich.:	ABC3D12E28 (1)
Weight, g/mol:	491.242021
ΔH_f, kcal/mol:	-113.21
Dipole, Da:	3.39
IP(EA), eV:	-8.88(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-[[(2S)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-[3-(4-phenylphenyl)pyrrol-1-yl]butanoic acid

Drug info:

PubChemData

Smile

CCCNP(=N)(N(CCC)C1CCCCC1)O

DOS

IR

Vibrations