Geometry & MOs

Info

ID:	279300
PubChem CID:	103842974
Reduced:	ClN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	293.96379
ΔH_f, kcal/mol:	-98.24
Dipole, Da:	5.01
IP(EA), eV:	-9.08(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2,5-difluorophenyl)-3-ethylthiourea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)C(=O)NCC(C)(CN(C)C)O

DOS

IR

Vibrations