Geometry & MOs

Info

ID:	5677
PubChem CID:	13481
Reduced:	SN4O4C14H22 (1)
Stoich.:	AB4C4D14E22 (1)
Weight, g/mol:	342.136176
ΔH_f, kcal/mol:	-143.43
Dipole, Da:	3.96
IP(EA), eV:	-9.51(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]pentanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)OC)N)N

DOS

IR

Vibrations