Geometry & MOs

Info

ID:	227208
PubChem CID:	87560593
Reduced:	O4C5H6 (1)
Stoich.:	A4B5C6 (1)
Weight, g/mol:	203.145619
ΔH_f, kcal/mol:	-159.52
Dipole, Da:	7.2
IP(EA), eV:	-10.84(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-amino-3-methylpentyl]-3-ethylthiourea

Drug info:

PubChemData

Smile

CC(=O)OC=CC(=O)O

DOS

IR

Vibrations