Geometry & MOs

Info

ID:	132780
PubChem CID:	51419594
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	468.26376
ΔH_f, kcal/mol:	-166.87
Dipole, Da:	5.01
IP(EA), eV:	-8.82(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4

DOS

IR

Vibrations