Geometry & MOs

Info

ID:	176553
PubChem CID:	76066028
Reduced:	SN3O7C22H31 (1)
Stoich.:	AB3C7D22E31 (1)
Weight, g/mol:	424.207033
ΔH_f, kcal/mol:	-289.04
Dipole, Da:	7.38
IP(EA), eV:	-9.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diamino-12-(2,4-dinitroanilino)-7-iminododecanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CCCCNC(=O)OCC=C)C(=O)O

DOS

IR

Vibrations