Geometry & MOs

Info

ID:	176818
PubChem CID:	76102776
Reduced:	NSO4C35H69 (1)
Stoich.:	ABC4D35E69 (1)
Weight, g/mol:	440.231122
ΔH_f, kcal/mol:	-335.04
Dipole, Da:	4.81
IP(EA), eV:	-9.53(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 2-[(2-amino-3,3-dimethylbutanoyl)amino]pentanedioate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)NC(CS)C(=O)O)O

DOS

IR

Vibrations