Geometry & MOs

Info

ID:	151527
PubChem CID:	53837760
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	514.163946
ΔH_f, kcal/mol:	-55.49
Dipole, Da:	6.91
IP(EA), eV:	-9.83(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-N-(2-hydroxyethyl)-4-(2,2,2-trifluoroethoxy)benzamide

Drug info:

PubChemData

Smile

C1CC2CCCC3C2C(C1)C=C(O3)[N+](=O)[O-]

DOS

IR

Vibrations