Geometry & MOs

Info

ID:	34862
PubChem CID:	7979023
Reduced:	OSN3H21C22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	64.17
Dipole, Da:	7.55
IP(EA), eV:	-8.47(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CN(C(=S)NCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations