Geometry & MOs

Info

ID:	334360
PubChem CID:	127252912
Reduced:	SO4N5H23C25 (1)
Stoich.:	AB4C5D23E25 (1)
Weight, g/mol:	431.257277
ΔH_f, kcal/mol:	-76.41
Dipole, Da:	8.76
IP(EA), eV:	-9.25(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetylindol-1-yl)-1-[(1S,9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]ethanone

Drug info:

PubChemData

Smile

CNC(=O)CC1=CSC(=N1)NC(=O)CCCN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations