Geometry & MOs

Info

ID:	149677
PubChem CID:	53789351
Reduced:	O6C13H16 (1)
Stoich.:	A6B13C16 (1)
Weight, g/mol:	811.340355
ΔH_f, kcal/mol:	-207.49
Dipole, Da:	3.95
IP(EA), eV:	-8.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-[[2-(4,4,4-triphenylbutanethioylamino)acetyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC(=C(C=C1C=O)OC)OC

DOS

IR

Vibrations