Geometry & MOs

Info

ID:	340545
PubChem CID:	127262556
Reduced:	OBr2H8C17 (1)
Stoich.:	AB2C8D17 (1)
Weight, g/mol:	325.116791
ΔH_f, kcal/mol:	51.35
Dipole, Da:	4.66
IP(EA), eV:	-9.12(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-formamido-4-[(2-trimethylsilylphenyl)methylsulfanyl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC3=C2C4=C(C3=O)C=C(C=C4)Br)Br

DOS

IR

Vibrations