Geometry & MOs

Info

ID:	188619
PubChem CID:	77743035
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	497.113582
ΔH_f, kcal/mol:	-42.37
Dipole, Da:	7.82
IP(EA), eV:	-7.61(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(benzylsulfonylamino)-3-hydroxypropanoyl]amino]acetyl]-4-carbamimidoylbenzamide;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)N(C)C1C=C2C=CN(C=C2O1)C3CC4CCN(C4)C3

DOS

IR

Vibrations