Geometry & MOs

Info

ID:	387041
PubChem CID:	134983776
Reduced:	NSO2C23H29 (1)
Stoich.:	ABC2D23E29 (1)
Weight, g/mol:	337.150036
ΔH_f, kcal/mol:	-39.63
Dipole, Da:	4.8
IP(EA), eV:	-8.88(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl (2S)-2-[(E)-2-phenylethenyl]-1-[(1S)-1-phenylethyl]aziridine-2-carbothioate

Drug info:

PubChemData

Smile

C/C=C(\[C@@H]1[C@@H](N1S(=O)(=O)C2=C(C=C(C=C2C)C)C)C(C)C)/C3=CC=CC=C3

DOS

IR

Vibrations