Geometry & MOs

Info

ID:	159542
PubChem CID:	57288435
Reduced:	SN3O8C27H43 (1)
Stoich.:	AB3C8D27E43 (1)
Weight, g/mol:	378.066777
ΔH_f, kcal/mol:	-277.49
Dipole, Da:	2.64
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-amino-3-oxopropyl)sulfonyl-(3-aminophenyl)sulfamoyl]propanamide

Drug info:

PubChemData

Smile

CCCCCCCC(N(CCCC(C(=O)[C@H](CC1=CC=CC=C1)N)N)C(=O)[C@@H]2[C@H](O2)C(=O)OCC)S(=O)(=O)O

DOS

IR

Vibrations