Geometry & MOs

Info

ID:	375821
PubChem CID:	134221812
Reduced:	BrClN2O2F3C26H29 (1)
Stoich.:	ABC2D2E3F26G29 (1)
Weight, g/mol:	299.137757
ΔH_f, kcal/mol:	-236.3
Dipole, Da:	2.26
IP(EA), eV:	-9.14(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis[ethenyl(dimethyl)-lambda4-sulfanyl]-4-methoxyaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)C(/C=C/C2=CC(=C(C=C2)C(=O)NC3CCN(CC3)CCO)Br)C(F)(F)F

DOS

IR

Vibrations