Geometry & MOs

Info

ID:	143726
PubChem CID:	53253220
Reduced:	SO2N3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	446.195405
ΔH_f, kcal/mol:	-0.99
Dipole, Da:	4.23
IP(EA), eV:	-8.24(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2,5-dioxo-4-[1-(3-pyridin-2-ylpropyl)indol-3-yl]pyrrol-3-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CCCC3=CC=CS3)C4=C(C(=O)NC4=O)N

DOS

IR

Vibrations