Geometry & MOs

Info

ID:	313987
PubChem CID:	126619405
Reduced:	BrS2N3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	196.067034
ΔH_f, kcal/mol:	72.98
Dipole, Da:	3.13
IP(EA), eV:	-8.49(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxy-2-methylphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC2=NC(=CS2)C3=C(N=C(S3)C)C

DOS

IR

Vibrations