Geometry & MOs

Info

ID:	223500
PubChem CID:	85335131
Reduced:	NSCl2F3O5C10H18 (1)
Stoich.:	ABC2D3E5F10G18 (1)
Weight, g/mol:	392.157496
ΔH_f, kcal/mol:	-413.34
Dipole, Da:	2.35
IP(EA), eV:	-9.6(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-[[2-[[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C)N(CCCl)CCCl.C(F)(F)(F)S(=O)(=O)O

DOS

IR

Vibrations