Geometry & MOs

Info

ID:	222885
PubChem CID:	85332898
Reduced:	ClSN4O5C29H37 (1)
Stoich.:	ABC4D5E29F37 (1)
Weight, g/mol:	581.332568
ΔH_f, kcal/mol:	-199.8
Dipole, Da:	1.6
IP(EA), eV:	-8.92(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diaminohexanoic acid;3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C)C2C(C3CC(C(CC3NC2=O)Cl)C(=O)NC4=NC=NC=C4)OCCC5CCCS5(=O)=O

DOS

IR

Vibrations