Geometry & MOs

Info

ID:	298304
PubChem CID:	117648268
Reduced:	F3O3N7C30H32 (1)
Stoich.:	A3B3C7D30E32 (1)
Weight, g/mol:	376.040328
ΔH_f, kcal/mol:	-152.81
Dipole, Da:	6.26
IP(EA), eV:	-8.49(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2,3-difluoro-4-(4-prop-2-enoylsulfanylphenyl)phenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC(=C(C=C1)F)F)NC2=C(C=C(C(=N2)NC3=CC4=C(C=C3)N(N=C4)CCOC)C#N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations