Geometry & MOs

Info

ID:	269519
PubChem CID:	103617831
Reduced:	BrSN2O2C10H13 (1)
Stoich.:	ABC2D2E10F13 (1)
Weight, g/mol:	244.142307
ΔH_f, kcal/mol:	-72.56
Dipole, Da:	3.95
IP(EA), eV:	-9.56(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=CS1)Br)C(=O)N

DOS

IR

Vibrations