Geometry & MOs

Info

ID:	276372
PubChem CID:	103822770
Reduced:	BrClNO3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	245.156184
ΔH_f, kcal/mol:	-134.19
Dipole, Da:	7.43
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(butylcarbamothioylamino)-N,2,2-trimethylpropanamide

Drug info:

PubChemData

Smile

CCC(CC)(CC(=O)NC1=CC(=C(C=C1)Br)Cl)C(=O)O

DOS

IR

Vibrations