Geometry & MOs

Info

ID:	219065
PubChem CID:	85090429
Reduced:	S2N5O7C23H23 (1)
Stoich.:	A2B5C7D23E23 (1)
Weight, g/mol:	545.183186
ΔH_f, kcal/mol:	-200.28
Dipole, Da:	6.15
IP(EA), eV:	-9.16(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]-4-phenylbutanoyl]oxyethenesulfonic acid

Drug info:

PubChemData

Smile

COC1=NC2=C(C=CN=C2C=C1)C3CN(C(=O)O3)CC(CNS(=O)(=O)C4=CC5=C(C=C4)SCC(=O)N5)O

DOS

IR

Vibrations