Geometry & MOs

Info

ID:	34858
PubChem CID:	7979019
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	378.01499
ΔH_f, kcal/mol:	-190.06
Dipole, Da:	7.29
IP(EA), eV:	-9.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[(5-bromopyridine-3-carbonyl)amino]-1-methylthiourea

Drug info:

PubChemData

Smile

COCCNC(=O)COC(=O)[C@@H]1CS[C@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations