Geometry & MOs

Info

ID:	245028
PubChem CID:	99432172
Reduced:	SN3O5H21C23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	386.13972
ΔH_f, kcal/mol:	-133.85
Dipole, Da:	4.25
IP(EA), eV:	-9.11(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-N-[4-(oxan-4-ylamino)phenyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

DOS

IR

Vibrations