Geometry & MOs

Info

ID:	218731
PubChem CID:	85089881
Reduced:	NS2O10C20H23 (1)
Stoich.:	AB2C10D20E23 (1)
Weight, g/mol:	501.189334
ΔH_f, kcal/mol:	-331.45
Dipole, Da:	4.38
IP(EA), eV:	-9.37(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[[5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-(methylamino)-3-oxopropyl]phenyl]sulfamic acid

Drug info:

PubChemData

Smile

C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)OS(=O)(=O)O)O5)OS(=O)(=O)O

DOS

IR

Vibrations