Geometry & MOs

Info

ID:	407054
PubChem CID:	135079218
Reduced:	NSO2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	3.27
Dipole, Da:	5.32
IP(EA), eV:	-9.44(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(dibenzylamino)pent-2-en-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=C)C2CC2)C(C=C)C3=CC=CC=C3

DOS

IR

Vibrations