Geometry & MOs

Info

ID:

221686

PubChem CID:

85285942

Reduced:

PN4O10C26H33 (1)

Stoich.:

AB4C10D26E33 (1)

Weight, g/mol:

592.2897

ΔHf, kcal/mol:

-450.67

Dipole, Da:

3.89

IP(EA), eV:

 -10.04(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 3-acetamido-2-(2,5-dimethylpyrazolidine-1-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CC#N)OP(=O)(OC1C(C(OC1N2CCC(=O)N(C2=O)C(=O)C3=CC=CC=C3)CO)O)OC(C)(C)CC#N

DOS

IR

Vibrations