Geometry & MOs

Info

ID:	322394
PubChem CID:	126669988
Reduced:	ClSO3N4F5H16C19 (1)
Stoich.:	ABC3D4E5F16G19 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-271.4
Dipole, Da:	5.21
IP(EA), eV:	-9.36(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropylidene-(4-nitrophenyl)methyl]-2-ethyl-N,4,6-trimethylaniline

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(F)(F)(F)(F)F)NC(=O)NCC2=CC=CC=C2OC3=NC(=NC=C3)Cl

DOS

IR

Vibrations