Geometry & MOs

Info

ID:	179400
PubChem CID:	76477539
Reduced:	BrN5O5C9H12 (1)
Stoich.:	AB5C5D9E12 (1)
Weight, g/mol:	463.210721
ΔH_f, kcal/mol:	-110.83
Dipole, Da:	3.66
IP(EA), eV:	-10.55(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(naphthalen-2-ylmethylcarbamoylamino)-5-(phenylmethoxycarbonylamino)pentanoate

Drug info:

PubChemData

Smile

C1C(C(OC1N2CC(C(=O)NC2=O)Br)CO)O[N-][N+]#N

DOS

IR

Vibrations