Geometry & MOs

Info

ID:

219315

PubChem CID:

85098717

Reduced:

O13C42H64 (1)

Stoich.:

A13B42C64 (1)

Weight, g/mol:

783.500695

ΔHf, kcal/mol:

-536.0

Dipole, Da:

9.35

IP(EA), eV:

 -8.45(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[[7-[[1-[(4-amino-2-methylpyrimidin-5-yl)methylamino]-3-methyl-1-oxopentan-2-yl]carbamoyl]-5-hydroxy-2,8-dimethylnonan-4-yl]amino]-3-oxopropyl]carbamoyl-benzylamino]carbamate

Drug info:

PubChemData

Smile

CCCC(=O)OC1C(C2(OC(C(C1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)CCC=CC(C)CC3=CC=CC=C3)OC(C)(C)OC

DOS

IR

Vibrations