Geometry & MOs

Info

ID:	416981
PubChem CID:	135090953
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-82.56
Dipole, Da:	4.2
IP(EA), eV:	-9.08(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(oxan-4-ylmethyl)-2-phenylbenzamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC=N2)C(=O)N3C[C@H]4CCC[C@@]([C@H]4C3)(C5=CC=CC=C5)O

DOS

IR

Vibrations