Geometry & MOs

Info

ID:	179258
PubChem CID:	76456651
Reduced:	BrN2O4C25H33 (1)
Stoich.:	AB2C4D25E33 (1)
Weight, g/mol:	392.083135
ΔH_f, kcal/mol:	-166.63
Dipole, Da:	5.12
IP(EA), eV:	-9.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,6-dihydroxy-2-methyl-3-(4-nitrobenzoyl)oxan-4-yl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC1CCC2C(C(=O)C(CC23C1(CC4=C(C=C5C(=C4O3)C(NC5=O)OC)Br)C)NC)(C)C

DOS

IR

Vibrations