Geometry & MOs

Info

ID:	225451
PubChem CID:	85786946
Reduced:	BrSN2O4C17H19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	418.01241
ΔH_f, kcal/mol:	-114.41
Dipole, Da:	7.41
IP(EA), eV:	-8.39(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromoacetyl)amino]-5-(2,4-dinitroanilino)pentanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OCCCBr

DOS

IR

Vibrations