Geometry & MOs

Info

ID:	218767
PubChem CID:	85089943
Reduced:	O2N7C29H33 (1)
Stoich.:	A2B7C29D33 (1)
Weight, g/mol:	507.161011
ΔH_f, kcal/mol:	73.23
Dipole, Da:	1.72
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-carbamimidoylthiophen-2-yl)methyl]-2-[3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-2-hydroxyazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=C(C=C3)C4NNNN4)C5=C(C=CC(=N5)C)C(=O)OC

DOS

IR

Vibrations