Geometry & MOs

Info

ID:	27839
PubChem CID:	823830
Reduced:	O6H10C13 (1)
Stoich.:	A6B10C13 (1)
Weight, g/mol:	270.059362
ΔH_f, kcal/mol:	-186.93
Dipole, Da:	6.04
IP(EA), eV:	-10.19(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)carbamothioyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)OCC2=C(C=CO2)C(=O)O

DOS

IR

Vibrations