Geometry & MOs

Info

ID:	155123
PubChem CID:	56320723
Reduced:	N3O6C21H25 (1)
Stoich.:	A3B6C21D25 (1)
Weight, g/mol:	403.156577
ΔH_f, kcal/mol:	-203.92
Dipole, Da:	4.7
IP(EA), eV:	-8.63(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-[(3-hydroxybenzoyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC(=O)NCCCNC(=O)C2=CC(=CC=C2)O)OC

DOS

IR

Vibrations