Geometry & MOs

Info

ID:	34725
PubChem CID:	7978868
Reduced:	SN3O6C19H23 (1)
Stoich.:	AB3C6D19E23 (1)
Weight, g/mol:	401.104542
ΔH_f, kcal/mol:	-184.01
Dipole, Da:	7.25
IP(EA), eV:	-9.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3R,7aS)-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)S(=O)(=O)N(C)CC(=O)NNC(=O)C2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations