Geometry & MOs

Info

ID:	176629
PubChem CID:	76075881
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	719.310118
ΔH_f, kcal/mol:	-18.95
Dipole, Da:	4.45
IP(EA), eV:	-9.79(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-[[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]acetyl]amino]acetyl]-3-(4-methylpiperidin-2-yl)piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CC(=CC1OCOC)C)N=[N+]=[N-]

DOS

IR

Vibrations