Geometry & MOs

Info

ID:	417365
PubChem CID:	135092740
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	354.150347
ΔH_f, kcal/mol:	-97.43
Dipole, Da:	5.52
IP(EA), eV:	-9.73(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(difluoromethyl)-2-methylpyrazol-3-yl]-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations