Geometry & MOs

Info

ID:	317217
PubChem CID:	126633659
Reduced:	ClFO2S2N3H19C20 (1)
Stoich.:	ABC2D2E3F19G20 (1)
Weight, g/mol:	448.257337
ΔH_f, kcal/mol:	-38.5
Dipole, Da:	4.86
IP(EA), eV:	-8.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-[2-(1-prop-2-enoyloxypropan-2-yloxyamino)propan-2-yl]phenyl]propan-2-ylamino]oxypropyl prop-2-enoate

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)C(C(=N1)N)(C)C)C2=C(C=C(S2)C3=CN=C(O3)C4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations