Geometry & MOs

Info

ID:	174371
PubChem CID:	75757710
Reduced:	N3O5C31H41 (1)
Stoich.:	A3B5C31D41 (1)
Weight, g/mol:	479.242021
ΔH_f, kcal/mol:	-178.73
Dipole, Da:	6.68
IP(EA), eV:	-8.36(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-2,3-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C(C2=CC=C(C=C2)N(C)C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C3=C(C(=CC=C3)O)O

DOS

IR

Vibrations