Geometry & MOs

Info

ID:	35038
PubChem CID:	7979222
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-7.13
Dipole, Da:	4.18
IP(EA), eV:	-8.74(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-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)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC

DOS

IR

Vibrations