Geometry & MOs

Info

ID:	34727
PubChem CID:	7978872
Reduced:	ClSN3O4C18H20 (1)
Stoich.:	ABC3D4E18F20 (1)
Weight, g/mol:	401.104542
ΔH_f, kcal/mol:	-116.5
Dipole, Da:	7.07
IP(EA), eV:	-9.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S,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)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations