Geometry & MOs

Info

ID:

164226

PubChem CID:

74382436

Reduced:

O3N8C20H29 (2)

Stoich.:

A3B8C20D29 (2)

Weight, g/mol:

617.28258

ΔHf, kcal/mol:

-174.95

Dipole, Da:

9.85

IP(EA), eV:

 -8.57(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

heptyl 2-[[6-[4-[3-(dimethylamino)propoxycarbonylamino]-2-oxopyrimidin-1-yl]-7-hydroxy-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations