Geometry & MOs

Info

ID:	17462
PubChem CID:	499925
Reduced:	ClO3N4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	498.239769
ΔH_f, kcal/mol:	-130.42
Dipole, Da:	7.72
IP(EA), eV:	-8.64(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-1-[3-[2-(tert-butylcarbamoyl)anilino]-2-hydroxypropyl]-5-chloroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=CC=C1NCC(CN2C3=C(C=C(C=C3)Cl)C=C2C(=O)NC(C)(C)C)O

DOS

IR

Vibrations