Geometry & MOs

Info

ID:	221222
PubChem CID:	85261554
Reduced:	SN4O6C26H44 (1)
Stoich.:	AB4C6D26E44 (1)
Weight, g/mol:	540.13887
ΔH_f, kcal/mol:	-303.07
Dipole, Da:	4.72
IP(EA), eV:	-9.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[2-benzyl-3-[(1-carboxy-3-methylbutyl)amino]-3-oxopropyl]-hydroxyphosphoryl]-2-phenylethyl]azanium;bromide

Drug info:

PubChemData

Smile

CC(C)CC(C(C(=O)OC(C)(C)C)NS(=O)(=O)CCC1=CC=NC=C1)C(=O)NC(C(=O)NC)C(C)(C)C

DOS

IR

Vibrations