Geometry & MOs

Info

ID:	310538
PubChem CID:	126581751
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	556.165265
ΔH_f, kcal/mol:	-95.56
Dipole, Da:	1.56
IP(EA), eV:	-9.16(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethoxyphenyl)-5-[3-[[(2R)-1-(5-fluoropyrimidin-2-yl)propan-2-yl]sulfonylamino]-1H-1,2,4-triazol-5-yl]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=C(CO1)C=C(C=C2)[C@H]3CC[C@@](C3)(CO)N

DOS

IR

Vibrations