Geometry & MOs

Info

ID:	85403
PubChem CID:	49874796
Reduced:	ClS2N3O4H14C15 (1)
Stoich.:	AB2C3D4E14F15 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	-88.05
Dipole, Da:	6.74
IP(EA), eV:	-9.14(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-cyano-4-phenylmethoxyindole-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=CC=C1)N/C(=C\2/C(=O)C3=C(C=C(S3)Cl)S(=O)(=O)N2C)/O

DOS

IR

Vibrations