Geometry & MOs

Info

ID:	313501
PubChem CID:	126615135
Reduced:	SF2N3O5C25H31 (1)
Stoich.:	AB2C3D5E25F31 (1)
Weight, g/mol:	469.1849
ΔH_f, kcal/mol:	-250.66
Dipole, Da:	5.01
IP(EA), eV:	-7.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(E)-1-[2-(hydroxymethyl)prop-2-enoyl-methylamino]pent-2-en-3-yl]-4-(methylamino)phenyl] (4-nitrophenyl) carbonate

Drug info:

PubChemData

Smile

COCC1=NC2=C(C=C1)[C@@H](N(CC2)C(=O)CCCC(=O)O)C(=O)NC3=CC(=C(C(=C3)F)S(C)(C)C)F

DOS

IR

Vibrations