Geometry & MOs

Info

ID:	143727
PubChem CID:	53253221
Reduced:	N4O4C25H26 (1)
Stoich.:	A4B4C25D26 (1)
Weight, g/mol:	451.156577
ΔH_f, kcal/mol:	-101.47
Dipole, Da:	7.04
IP(EA), eV:	-8.46(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C(=O)NC1=O)C2=CN(C3=CC=CC=C32)CCCC4=CC=CC=N4

DOS

IR

Vibrations