Geometry & MOs

Info

ID:	341899
PubChem CID:	127264592
Reduced:	S2N5O5C17H23 (1)
Stoich.:	A2B5C5D17E23 (1)
Weight, g/mol:	320.250401
ΔH_f, kcal/mol:	-129.04
Dipole, Da:	6.57
IP(EA), eV:	-9.16(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,3aR)-1,3,6,8-tetraethyl-1,2,3,3a,4,5-hexahydropyrene

Drug info:

PubChemData

Smile

CCC(C)O/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O

DOS

IR

Vibrations