Geometry & MOs

Info

ID:	214619
PubChem CID:	85083289
Reduced:	S2N5O7C24H25 (1)
Stoich.:	A2B5C7D24E25 (1)
Weight, g/mol:	559.304621
ΔH_f, kcal/mol:	-125.71
Dipole, Da:	4.26
IP(EA), eV:	-8.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[1-[[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)C(=NOC)C4=CSC(=N4)N)C=CCO

DOS

IR

Vibrations