Geometry & MOs

Info

ID:	35040
PubChem CID:	7979224
Reduced:	SN3O5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-147.81
Dipole, Da:	6.26
IP(EA), eV:	-9.42(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (3S,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(=C(C=C2)C)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations