Geometry & MOs

Info

ID:	252333
PubChem CID:	103110634
Reduced:	BrFSN2O2C14H14 (1)
Stoich.:	ABCD2E2F14G14 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-81.91
Dipole, Da:	4.34
IP(EA), eV:	-8.41(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-amino-2-methylphenyl)methyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNS(=O)(=O)C2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations