Geometry & MOs

Info

ID:	261692
PubChem CID:	103245615
Reduced:	FNSO3C15H18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	236.079707
ΔH_f, kcal/mol:	-141.06
Dipole, Da:	3.84
IP(EA), eV:	-9.14(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(2-nitrophenyl)methylamino]but-2-enoic acid

Drug info:

PubChemData

Smile

CC(CNCC1=C(SC2=CC=CC(=C21)F)C(=O)O)COC

DOS

IR

Vibrations