Geometry & MOs

Info

ID:	143642
PubChem CID:	53241280
Reduced:	BrSN2O6C21H25 (1)
Stoich.:	ABC2D6E21F25 (1)
Weight, g/mol:	483.03512
ΔH_f, kcal/mol:	-182.26
Dipole, Da:	4.88
IP(EA), eV:	-8.21(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-bromophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] (2S)-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(OC(=O)CC1=CC=C(C=C1)N(C)C)S(=O)(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations