Geometry & MOs

Info

ID:	44089
PubChem CID:	10500675
Reduced:	NSO3C22H33 (1)
Stoich.:	ABC3D22E33 (1)
Weight, g/mol:	391.218115
ΔH_f, kcal/mol:	-160.38
Dipole, Da:	5.13
IP(EA), eV:	-8.64(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-ethenyl-3-(2-methylpropyl)-1-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonyl]aziridine

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C(=O)O[C@@H](O1)C(C)(C)C)[C@H](C2CCCCC2)SC3=CC=CC=C3N

DOS

IR

Vibrations