Geometry & MOs

Info

ID:	13646
PubChem CID:	396493
Reduced:	SN5O5C15H23 (1)
Stoich.:	AB5C5D15E23 (1)
Weight, g/mol:	385.14199
ΔH_f, kcal/mol:	-193.61
Dipole, Da:	7.53
IP(EA), eV:	-9.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylcarbamoylamino]hexanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CCCCN=C(N)N)C(=O)O

DOS

IR

Vibrations