Geometry & MOs

Info

ID:	7254
PubChem CID:	71724
Reduced:	SN3O6C14H21 (1)
Stoich.:	AB3C6D14E21 (1)
Weight, g/mol:	359.115107
ΔH_f, kcal/mol:	-261.45
Dipole, Da:	5.73
IP(EA), eV:	-9.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)C(=O)O)C

DOS

IR

Vibrations