Geometry & MOs

Info

ID:	290319
PubChem CID:	104429018
Reduced:	BrClN2S2O3C10H14 (1)
Stoich.:	ABC2D2E3F10G14 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-102.19
Dipole, Da:	5.42
IP(EA), eV:	-9.44(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-2-[[3-(tert-butylamino)-3-oxopropyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCNS(=O)(=O)C1=CC(=C(S1)Br)Cl

DOS

IR

Vibrations