Geometry & MOs

Info

ID:	440354
PubChem CID:	135230313
Reduced:	O3N7C23H29 (1)
Stoich.:	A3B7C23D29 (1)
Weight, g/mol:	331.073295
ΔH_f, kcal/mol:	-1.65
Dipole, Da:	5.91
IP(EA), eV:	-8.79(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-3-amino-3-chloro-2-(ethylamino)prop-2-enylidene]-3-(3,3,3-trifluoropropylsulfanyl)propanamide

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CN(O1)CCOC)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CN=C(N=C4)C)C

DOS

IR

Vibrations