Geometry & MOs

Info

ID:	34991
PubChem CID:	7979172
Reduced:	BrN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	391.120192
ΔH_f, kcal/mol:	-2.8
Dipole, Da:	1.97
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)/C=C/C2=CC(=CC=C2)Br

DOS

IR

Vibrations