Geometry & MOs

Info

ID:	235848
PubChem CID:	92710841
Reduced:	SO3N5C18H29 (1)
Stoich.:	AB3C5D18E29 (1)
Weight, g/mol:	432.219512
ΔH_f, kcal/mol:	-115.99
Dipole, Da:	4.82
IP(EA), eV:	-8.39(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)[C@H]1CCCN(C1)C2=NN=C(S2)N3CCCCC3=O

DOS

IR

Vibrations