Geometry & MOs

Info

ID:	425236
PubChem CID:	135125608
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	265.077265
ΔH_f, kcal/mol:	-45.91
Dipole, Da:	4.66
IP(EA), eV:	-9.06(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(hydroxymethyl)-2-methylsulfonyl-5-phenylpent-4-enenitrile

Drug info:

PubChemData

Smile

C1CC1C(=O)C2C(C3=C(C=CC(=C3)C4=CC5=CC=CC=C5N=C4)OC26CCNCC6)O

DOS

IR

Vibrations