Geometry & MOs

Info

ID:	43944
PubChem CID:	10322258
Reduced:	FO2N3C28H36 (1)
Stoich.:	AB2C3D28E36 (1)
Weight, g/mol:	465.229742
ΔH_f, kcal/mol:	-77.55
Dipole, Da:	4.12
IP(EA), eV:	-8.16(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3S,4S)-4-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-6-methyl-1-(methylamino)-1-oxoheptan-3-yl] ethanethioate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)F)N2CCN(CC2)CCC(C3=CC=CC=C3C#N)C(C4CCCCC4)O

DOS

IR

Vibrations