Geometry & MOs

Info

ID:	235877
PubChem CID:	92710961
Reduced:	SN2O3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	394.135114
ΔH_f, kcal/mol:	-23.41
Dipole, Da:	5.31
IP(EA), eV:	-8.51(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-5-[4-methyl-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C4=CN=C(O4)C5CC5

DOS

IR

Vibrations