Geometry & MOs

Info

ID:	396068
PubChem CID:	135027346
Reduced:	N3O6C22H31 (1)
Stoich.:	A3B6C22D31 (1)
Weight, g/mol:	453.166663
ΔH_f, kcal/mol:	-233.18
Dipole, Da:	1.75
IP(EA), eV:	-8.99(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(5-chloro-2-oxo-3-prop-2-enoxy-1H-indol-3-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(C(=O)N2)(N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OCC=C

DOS

IR

Vibrations