Geometry & MOs

Info

ID:	339598
PubChem CID:	127261588
Reduced:	NSO6C21H33 (1)
Stoich.:	ABC6D21E33 (1)
Weight, g/mol:	372.03208
ΔH_f, kcal/mol:	-288.53
Dipole, Da:	10.64
IP(EA), eV:	-9.26(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-bromoacetyl)amino]-4-nitrophenyl] hexanoate

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)O)OC(=O)CCCCC

DOS

IR

Vibrations