Geometry & MOs

Info

ID:	412972
PubChem CID:	135085910
Reduced:	NC13H15 (1)
Stoich.:	AB13C15 (1)
Weight, g/mol:	405.139865
ΔH_f, kcal/mol:	37.91
Dipole, Da:	2.63
IP(EA), eV:	-8.13(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]aziridine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=C2)C)CC=C

DOS

IR

Vibrations