Geometry & MOs

Info

ID:	238579
PubChem CID:	92741983
Reduced:	SN2O2C12H13 (2)
Stoich.:	AB2C2D12E13 (2)
Weight, g/mol:	461.198442
ΔH_f, kcal/mol:	-114.47
Dipole, Da:	8.34
IP(EA), eV:	-8.65(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[(2R)-2-methyl-5-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC[C@@H]3C(=O)NC4=NC5=C(S4)C=C(C=C5)C

DOS

IR

Vibrations