Geometry & MOs

Info

ID:	214385
PubChem CID:	84981807
Reduced:	SO3N4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	403.07292
ΔH_f, kcal/mol:	-98.11
Dipole, Da:	4.17
IP(EA), eV:	-8.66(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromo-5-fluorobenzoyl)amino]-3-(2-methylheptyl)thiourea

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)CCN1C2=CC=CC=C2OC1=O

DOS

IR

Vibrations