Geometry & MOs

Info

ID:	245185
PubChem CID:	99437817
Reduced:	O2S2N5C19H23 (1)
Stoich.:	A2B2C5D19E23 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	-3.81
Dipole, Da:	6.46
IP(EA), eV:	-8.91(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCCC(=O)NC3=CC=NN3C[C@@H]4CCOC4)C

DOS

IR

Vibrations