Geometry & MOs

Info

ID:	44477
PubChem CID:	10503697
Reduced:	NSC10H22 (2)
Stoich.:	ABC10D22 (2)
Weight, g/mol:	449.249854
ΔH_f, kcal/mol:	-82.38
Dipole, Da:	4.29
IP(EA), eV:	-8.92(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,12S)-16-butanoyl-14-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8,13-pentaene-13-carbonitrile

Drug info:

PubChemData

Smile

C(CCCCCSSCCCCCCCCCCN)CCCCN

DOS

IR

Vibrations