Geometry & MOs

Info

ID:	33499
PubChem CID:	7886747
Reduced:	NO4C25H29 (1)
Stoich.:	AB4C25D29 (1)
Weight, g/mol:	395.112605
ΔH_f, kcal/mol:	-142.2
Dipole, Da:	3.87
IP(EA), eV:	-9.37(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propan-1-one

Drug info:

PubChemData

Smile

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2(CCCC2)C3=CC=CC=C3

DOS

IR

Vibrations