Geometry & MOs

Info

ID:	70165
PubChem CID:	47208264
Reduced:	ClSO2N3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	359.01032
ΔH_f, kcal/mol:	-25.36
Dipole, Da:	5.46
IP(EA), eV:	-8.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromo-5-fluorobenzoyl)amino]-3-cyclopentylthiourea

Drug info:

PubChemData

Smile

C1CC1NC(=S)NNC(=O)CCOC2=CC=C(C=C2)Cl

DOS

IR

Vibrations