Geometry & MOs

Info

ID:	1277
PubChem CID:	4084
Reduced:	SN3O4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	361.109627
ΔH_f, kcal/mol:	-100.56
Dipole, Da:	5.95
IP(EA), eV:	-9.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-6-[[2-(methylideneamino)-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N=C)C(=O)O)C

DOS

IR

Vibrations