Geometry & MOs

Info

ID:	46513
PubChem CID:	10524876
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	397.108086
ΔH_f, kcal/mol:	-38.38
Dipole, Da:	7.14
IP(EA), eV:	-8.55(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-benzyl-3-(2-chloro-2-oxoacetyl)-2-methylindol-4-yl]propanoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)CCCCC3=CC4=C(C=C3)NC(=O)S4

DOS

IR

Vibrations