Geometry & MOs

Info

ID:	159916
PubChem CID:	57298448
Reduced:	OSN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	477.133614
ΔH_f, kcal/mol:	22.33
Dipole, Da:	3.97
IP(EA), eV:	-9.3(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[1-[(4-fluorophenyl)carbamoyl]-5-nitroindol-3-yl]methyl]-3-methoxybenzoate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CSC(=N1)C2=CN=CC=C2

DOS

IR

Vibrations