Geometry & MOs

Info

ID:	143420
PubChem CID:	53206843
Reduced:	ClFSN3C23H25 (1)
Stoich.:	ABCD3E23F25 (1)
Weight, g/mol:	393.223869
ΔH_f, kcal/mol:	2.41
Dipole, Da:	8.26
IP(EA), eV:	-8.23(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-yl-3-(3,5-dimethylphenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CN(C3CCCCC3)C(=S)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations