Geometry & MOs

Info

ID:	247142
PubChem CID:	103068127
Reduced:	NSF2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-65.32
Dipole, Da:	2.39
IP(EA), eV:	-8.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[(2-nitrophenyl)sulfanylmethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNCC(=C)CSC1=C(C=C(C=C1)F)F

DOS

IR

Vibrations