Geometry & MOs

Info

ID:	140755
PubChem CID:	52753846
Reduced:	ClSN3O3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	420.228717
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	10.27
IP(EA), eV:	-8.7(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl-[[3-[[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]phenyl]methyl]-methylazanium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C3C=CC=CN3C(=N2)SC)Cl

DOS

IR

Vibrations