Geometry & MOs

Info

ID:	218293
PubChem CID:	85089137
Reduced:	SN3O4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	445.294057
ΔH_f, kcal/mol:	-126.28
Dipole, Da:	6.06
IP(EA), eV:	-8.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[[1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CN(C(CN1CCCC1)C2=CC=C(C=C2)OC)C(=O)CC3=CC=CC=C3NS(=O)(=O)C

DOS

IR

Vibrations