Geometry & MOs

Info

ID:	401644
PubChem CID:	135051974
Reduced:	NSO5H13C16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	438.215472
ΔH_f, kcal/mol:	-41.99
Dipole, Da:	6.3
IP(EA), eV:	-9.51(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methoxy-4-[[1-methyl-5-(pentoxycarbonylamino)indol-3-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CS(=O)(=O)OC(C#CC1=CC=CC=C1)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations