Geometry & MOs

Info

ID:	187654
PubChem CID:	77606216
Reduced:	PSN5O8C18H22 (1)
Stoich.:	ABC5D8E18F22 (1)
Weight, g/mol:	472.220951
ΔH_f, kcal/mol:	-308.97
Dipole, Da:	6.92
IP(EA), eV:	-8.65(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,4-dimethoxyphenyl)propylamino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CC(C2C(C(C(O2)N3C=NC4C3=NC(=NC4=O)N)O)O)OP(=O)(O)O

DOS

IR

Vibrations