Geometry & MOs

Info

ID:	49587
PubChem CID:	11533317
Reduced:	SN4O5C25H26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	494.25292
ΔH_f, kcal/mol:	-110.35
Dipole, Da:	8.35
IP(EA), eV:	-8.64(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-(2-morpholin-4-ylethoxy)phenoxy]hexylamino]-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2(CCN(C2)C(=O)C)NC(=O)C3=CC=C(S3)C#C)N4CCOCC4=O

DOS

IR

Vibrations