Geometry & MOs

Info

ID:	235414
PubChem CID:	92708716
Reduced:	ClFSN2O4C22H22 (1)
Stoich.:	ABCD2E4F22G22 (1)
Weight, g/mol:	498.218843
ΔH_f, kcal/mol:	-166.41
Dipole, Da:	7.28
IP(EA), eV:	-9.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-cyclohexyl-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)butanamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)NC1=C(C=C(C=C1)F)Cl)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CC4

DOS

IR

Vibrations