Geometry & MOs

Info

ID:	65683
PubChem CID:	46386748
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	446.141262
ΔH_f, kcal/mol:	9.09
Dipole, Da:	3.67
IP(EA), eV:	-8.1(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-pyridin-3-yl-1H-indol-3-yl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)NC1=C(NC2=CC=CC=C21)C3=CN=CC=C3

DOS

IR

Vibrations