Geometry & MOs

Info

ID:	146695
PubChem CID:	53730933
Reduced:	SO4N7C29H43 (1)
Stoich.:	AB4C7D29E43 (1)
Weight, g/mol:	303.078996
ΔH_f, kcal/mol:	-103.91
Dipole, Da:	4.31
IP(EA), eV:	-8.42(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-5-(aminooxyiminomethyl)-14-thia-2,4,11-triazatetracyclo[11.3.0.02,6.07,11]hexadeca-1(13),3,5,15-tetraen-12-one

Drug info:

PubChemData

Smile

CC(C)CON1CCC2C1(C(=O)CC2=O)COC(=S)N3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6

DOS

IR

Vibrations