Geometry & MOs

Info

ID:	33519
PubChem CID:	7886803
Reduced:	O2S2N4C15H18 (1)
Stoich.:	A2B2C4D15E18 (1)
Weight, g/mol:	413.159555
ΔH_f, kcal/mol:	-49.53
Dipole, Da:	2.86
IP(EA), eV:	-8.66(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1-adamantyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propanamide

Drug info:

PubChemData

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CC(C)[C@H](C(=O)NC(=O)N)SC1=NC=NC2=C1C3=C(S2)CCC3

DOS

IR

Vibrations