Geometry & MOs

Info

ID:	270950
PubChem CID:	103638927
Reduced:	BrSN2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	302.00885
ΔH_f, kcal/mol:	12.67
Dipole, Da:	5.8
IP(EA), eV:	-8.5(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2-methylphenyl)-3-(2-methoxyethyl)thiourea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=S)NCC(C)C

DOS

IR

Vibrations