Geometry & MOs

Info

ID:	431914
PubChem CID:	135172041
Reduced:	N3O6C22H27 (1)
Stoich.:	A3B6C22D27 (1)
Weight, g/mol:	420.168522
ΔH_f, kcal/mol:	-219.86
Dipole, Da:	3.5
IP(EA), eV:	-8.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3-acetyl-5-isocyanato-6-phenylmethoxyindol-1-yl)acetate

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=CC(=C(C=C21)NC(=O)NC3CC3)OC(=O)C)CC(=O)OC(C)(C)C

DOS

IR

Vibrations