Geometry & MOs

Info

ID:	186276
PubChem CID:	77413407
Reduced:	N3S3O4C14H17 (1)
Stoich.:	A3B3C4D14E17 (1)
Weight, g/mol:	384.092597
ΔH_f, kcal/mol:	-87.19
Dipole, Da:	4.61
IP(EA), eV:	-9.29(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(3-methyltriazol-4-yl)sulfanylmethyl]-7,8-dioxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1(CN2C(C(=O)C2=O)SC1)CSC3=NN=CS3

DOS

IR

Vibrations