Geometry & MOs

Info

ID:	395276
PubChem CID:	135025059
Reduced:	SN5O5C19H25 (1)
Stoich.:	AB5C5D19E25 (1)
Weight, g/mol:	377.256609
ΔH_f, kcal/mol:	-136.96
Dipole, Da:	5.84
IP(EA), eV:	-9.17(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (12R)-14-methyl-10-oxo-12-prop-2-enyl-2-oxa-6-azabicyclo[9.4.0]pentadec-1(11)-ene-6-carboxylate

Drug info:

PubChemData

Smile

CN1[C@H]2CS[C@H]([C@H]2N(C1=O)CC3=CN(N=N3)/C=C/C=C/C(=O)O)CCCCC(=O)O

DOS

IR

Vibrations