Geometry & MOs

Info

ID:	302080
PubChem CID:	124349262
Reduced:	OS2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	325.146013
ΔH_f, kcal/mol:	21.61
Dipole, Da:	4.13
IP(EA), eV:	-8.95(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R,6S)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NNC(=N3)C

DOS

IR

Vibrations