Geometry & MOs

Info

ID:	421202
PubChem CID:	135115554
Reduced:	Cl2N2S2O3C13H18 (1)
Stoich.:	A2B2C2D3E13F18 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-111.28
Dipole, Da:	3.7
IP(EA), eV:	-9.18(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-pyrazol-4-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

C1C[C@@]2(CCN(C[C@H]2NC1)S(=O)(=O)C3=CC(=C(S3)Cl)Cl)CO

DOS

IR

Vibrations