Geometry & MOs

Info

ID:	146604
PubChem CID:	53715701
Reduced:	BrNSO3C15H22 (1)
Stoich.:	ABCD3E15F22 (1)
Weight, g/mol:	392.13657
ΔH_f, kcal/mol:	-123.0
Dipole, Da:	3.71
IP(EA), eV:	-9.48(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[[1-[[2-(4-amino-3-oxobutoxy)-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(=O)[C@H](CC(C)C)NS(=O)(=O)C1=CC=C(C=C1)CBr

DOS

IR

Vibrations