Geometry & MOs

Info

ID:	411034
PubChem CID:	135083843
Reduced:	BrN3O3C7H12 (1)
Stoich.:	AB3C3D7E12 (1)
Weight, g/mol:	259.9619
ΔH_f, kcal/mol:	-122.15
Dipole, Da:	3.83
IP(EA), eV:	-8.87(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(S)-(2-bromophenyl)-hydroxymethyl]thiourea

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(\N)/NNC(=O)C)/Br

DOS

IR

Vibrations