Geometry & MOs

Info

ID:	194995
PubChem CID:	78618279
Reduced:	BrSN3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	394.126361
ΔH_f, kcal/mol:	79.67
Dipole, Da:	7.17
IP(EA), eV:	-8.54(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]-3-prop-2-enylthiourea

Drug info:

PubChemData

Smile

CCC(=NNC(=S)NCC=C)C1=CC=C(C=C1)Br

DOS

IR

Vibrations