Geometry & MOs

Info

ID:	312448
PubChem CID:	126605235
Reduced:	N5H29C43 (1)
Stoich.:	A5B29C43 (1)
Weight, g/mol:	421.13241
ΔH_f, kcal/mol:	254.09
Dipole, Da:	1.67
IP(EA), eV:	-7.97(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-diethoxyphosphorylthiophen-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4C5=C3C6=C(C7C=CC=CC7N6C8=CC=CC=C8)C9=CC=CC=C95)C1=CC=CC=C1

DOS

IR

Vibrations