Geometry & MOs

Info

ID:	173025
PubChem CID:	75585944
Reduced:	N7O7C21H37 (2)
Stoich.:	A7B7C21D37 (2)
Weight, g/mol:	347.070859
ΔH_f, kcal/mol:	-698.97
Dipole, Da:	7.7
IP(EA), eV:	-9.57(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4,4-dimethyl-5-(3-sulfopropylsulfonyloxy)pentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(C)N

DOS

IR

Vibrations