Geometry & MOs

Info

ID:	46903
PubChem CID:	10528270
Reduced:	BrNS2H22C24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	468.131485
ΔH_f, kcal/mol:	93.23
Dipole, Da:	2.4
IP(EA), eV:	-8.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylsulfamoylamino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C[C@@]1([C@H](N(CS1)C2=CC=C(C=C2)Br)/C=C/C3=CC=CC=C3)SC4=CC=CC=C4

DOS

IR

Vibrations