Geometry & MOs

Info

ID:

186393

PubChem CID:

77426885

Reduced:

N7O10C25H49 (1)

Stoich.:

A7B10C25D49 (1)

Weight, g/mol:

833.463366

ΔHf, kcal/mol:

-441.57

Dipole, Da:

0.81

IP(EA), eV:

 -9.56(0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[6-[6-amino-4-[(3-amino-2-hydroxypropanoyl)amino]-3-[3,5-dihydroxy-5-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate

Drug info:

PubChemData

Smile

C1CC(C(OC1CNCCO)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)N=C(C4(CC(C4)N)O)N)N)N

DOS

IR

Vibrations