Geometry & MOs

Info

ID:	218356
PubChem CID:	85089222
Reduced:	ClS3O4N5C14H18 (1)
Stoich.:	AB3C4D5E14F18 (1)
Weight, g/mol:	451.97693
ΔH_f, kcal/mol:	-67.45
Dipole, Da:	5.78
IP(EA), eV:	-9.21(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-[4-[bis(2-bromoethyl)amino]phenoxy]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)SC(=O)C1=C(CS(=O)(=O)C2N1C(=O)C2Cl)CSC3=NN=NN3C

DOS

IR

Vibrations