Geometry & MOs

Info

ID:	34691
PubChem CID:	7978830
Reduced:	SN4O5C19H20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	403.120192
ΔH_f, kcal/mol:	-103.41
Dipole, Da:	7.98
IP(EA), eV:	-9.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclopropylcarbamoylamino)-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

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations