Geometry & MOs

Info

ID:

186598

PubChem CID:

77451168

Reduced:

IN4O12C22H41 (1)

Stoich.:

AB4C12D22E41 (1)

Weight, g/mol:

700.406067

ΔHf, kcal/mol:

-538.4

Dipole, Da:

5.2

IP(EA), eV:

 -9.8(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[5-ethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-2-[(4-methoxy-3-oxo-1-phenylbutan-2-yl)carbamoylamino]propanoate

Drug info:

PubChemData

Smile

COC1C(CC(C(C1OC2C(C(C(O2)CO)OC3C(C(C(C(O3)CN)O)O)N)O)O)NC(=O)C(CCI)O)N

DOS

IR

Vibrations