Geometry & MOs

Info

ID:	218584
PubChem CID:	85089649
Reduced:	BrSF3N3O3C17H19 (1)
Stoich.:	ABC3D3E3F17G19 (1)
Weight, g/mol:	482.10664
ΔH_f, kcal/mol:	-212.94
Dipole, Da:	4.08
IP(EA), eV:	-8.87(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(1H-indol-3-yl)ethyl-[2-(iodomethyl)butyl]amino]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CC1CN2C3=C(CN1CC=C(C)C)C=CC(=C3N=C2OS(=O)(=O)C(F)(F)F)Br

DOS

IR

Vibrations