Geometry & MOs

Info

ID:	402416
PubChem CID:	135055901
Reduced:	IN2O7H17C20 (1)
Stoich.:	AB2C7D17E20 (1)
Weight, g/mol:	466.098785
ΔH_f, kcal/mol:	-109.84
Dipole, Da:	9.14
IP(EA), eV:	-9.24(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(2-methoxy-4-nitroanilino)-2-[(2R)-5-oxo-2H-furan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[N+](=O)[O-])N[C@]([C@H]2C=CC(=O)O2)(C3=CC=C(C=C3)I)C(=O)OC

DOS

IR

Vibrations