Geometry & MOs

Info

ID:	124312
PubChem CID:	50878447
Reduced:	O2S2N5H17C19 (1)
Stoich.:	A2B2C5D17E19 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	61.26
Dipole, Da:	5.25
IP(EA), eV:	-8.59(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[1-[2-(N-methylanilino)ethyl]indol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=C(N12)/C=N/NC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4

DOS

IR

Vibrations