Geometry & MOs

Info

ID:	214374
PubChem CID:	84981742
Reduced:	ON3S3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	403.07292
ΔH_f, kcal/mol:	-18.98
Dipole, Da:	9.08
IP(EA), eV:	-8.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)C1=CC=C(C=C1)C2SCCS2

DOS

IR

Vibrations