Geometry & MOs

Info

ID:	443227
PubChem CID:	135258201
Reduced:	ClSF2O2N5C22H22 (1)
Stoich.:	ABC2D2E5F22G22 (1)
Weight, g/mol:	451.097121
ΔH_f, kcal/mol:	-95.04
Dipole, Da:	10.31
IP(EA), eV:	-8.84(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)[C@@H]1CCN(C1)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CC=NS4

DOS

IR

Vibrations