Geometry & MOs

Info

ID:	376077
PubChem CID:	134222079
Reduced:	NF2P2O19C25H49 (1)
Stoich.:	AB2C2D19E25F49 (1)
Weight, g/mol:	412.098782
ΔH_f, kcal/mol:	-1051.25
Dipole, Da:	7.16
IP(EA), eV:	-9.52(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[4-[(E)-3-(3-chloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]-1-methylsulfanylethene-1,2-diamine

Drug info:

PubChemData

Smile

C(CCN)CCOP(O)OCC(C(C(COC1C(C(C(O1)CO)OP(O)OCC(C(C(COC2C(C(C(O2)CO)O)F)O)O)O)F)O)O)O

DOS

IR

Vibrations