Geometry & MOs

Info

ID:	27845
PubChem CID:	823847
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-13.97
Dipole, Da:	3.64
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-methylbutanoylcarbamothioylamino)benzoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(=S)NC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations