Geometry & MOs

Info

ID:	44329
PubChem CID:	10502780
Reduced:	N2O2C27H46 (1)
Stoich.:	A2B2C27D46 (1)
Weight, g/mol:	430.00524
ΔH_f, kcal/mol:	-131.63
Dipole, Da:	5.53
IP(EA), eV:	-9.0(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(5-bromopyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CC2=C(C[C@H](NC(=O)[C@@H](N2C)C(C)C)CO)C=C1

DOS

IR

Vibrations