Geometry & MOs

Info

ID:	242535
PubChem CID:	97301901
Reduced:	SN4O5C19H32 (1)
Stoich.:	AB4C5D19E32 (1)
Weight, g/mol:	428.209341
ΔH_f, kcal/mol:	-199.54
Dipole, Da:	9.67
IP(EA), eV:	-9.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxyethyl (2S)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate

Drug info:

PubChemData

Smile

CCCCOCCOC(=O)[C@@H](CCCN=C(N)N)NS(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations