Geometry & MOs

Info

ID:

215473

PubChem CID:

85084790

Reduced:

SN10O10C45H64 (1)

Stoich.:

AB10C10D45E64 (1)

Weight, g/mol:

937.367341

ΔHf, kcal/mol:

-410.9

Dipole, Da:

11.32

IP(EA), eV:

 -8.59(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-amino-3,4-dibenzoyloxy-6-[2-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl]oxyoxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N(CC(C)C)CC(=O)NC(CC(=O)O)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCSC)NC(=O)C(CC3=CC=C(C=C3)O)N

DOS

IR

Vibrations