Geometry & MOs

Info

ID:	235875
PubChem CID:	92710959
Reduced:	SN2O6C23H26 (1)
Stoich.:	AB2C6D23E26 (1)
Weight, g/mol:	380.119464
ΔH_f, kcal/mol:	-161.32
Dipole, Da:	1.23
IP(EA), eV:	-8.3(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(O1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CC[C@@H](C3)C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations