Geometry & MOs

Info

ID:	380603
PubChem CID:	134971092
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	487.202859
ΔH_f, kcal/mol:	-109.86
Dipole, Da:	6.99
IP(EA), eV:	-9.15(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,1S)-2-(benzenesulfonyl)-N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(2R)-2-(methoxymethoxy)cyclopropyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

C[C@]1([C@H](CC2N1[C@H](COC2=O)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations