Geometry & MOs

Info

ID:	43851
PubChem CID:	10321885
Reduced:	NSO6C23H39 (1)
Stoich.:	ABC6D23E39 (1)
Weight, g/mol:	457.111709
ΔH_f, kcal/mol:	-236.27
Dipole, Da:	3.94
IP(EA), eV:	-9.15(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxypyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)SCCCO[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@](CC3)(OO4)C)C)C

DOS

IR

Vibrations