Geometry & MOs

Info

ID:	423872
PubChem CID:	135120559
Reduced:	ClNSO7C14H18 (1)
Stoich.:	ABCD7E14F18 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	-282.0
Dipole, Da:	9.88
IP(EA), eV:	-9.29(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylindol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)N2CC[C@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations