Geometry & MOs

Info

ID:	45999
PubChem CID:	10520247
Reduced:	SN3O3H13C16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	20.03
Dipole, Da:	3.37
IP(EA), eV:	-9.07(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[[(2S)-1-(naphthalen-1-ylmethoxy)butan-2-yl]amino]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations