Geometry & MOs

Info

ID:	195910
PubChem CID:	78747802
Reduced:	F2N2O5H16C20 (1)
Stoich.:	A2B2C5D16E20 (1)
Weight, g/mol:	378.187818
ΔH_f, kcal/mol:	-227.43
Dipole, Da:	2.55
IP(EA), eV:	-8.97(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-prop-2-enylthiourea

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)C2=CC(=C(C=C2)F)F)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations