Geometry & MOs

Info

ID:

164612

PubChem CID:

74426147

Reduced:

F3N8O33C77H115 (1)

Stoich.:

A3B8C33D77E115 (1)

Weight, g/mol:

276.168522

ΔHf, kcal/mol:

-1679.67

Dipole, Da:

10.79

IP(EA), eV:

 -9.64(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4-dihydroxy-N-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)C(CC(=O)NC(CC(=O)NC(CC(=O)OC)C3C4C(C(O3)OC)OC(O4)(C)C)C5C6C(C(O5)OC)OC(O6)(C)C)NC(=O)CC(C7C8C(C(O7)OC)OC(O8)(C)C)NC(=O)CC(C9C1C(C(O9)OC)OC(O1)(C)C)NC(=O)CC(C1C2C(C(O1)CN)OC(O2)(C)C)NC(=O)OCC1=CC=CC=C1)CN)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations