Geometry & MOs

Info

ID:

80251

PubChem CID:

49833733

Reduced:

SN7O8C39H49 (1)

Stoich.:

AB7C8D39E49 (1)

Weight, g/mol:

665.305176

ΔHf, kcal/mol:

-247.67

Dipole, Da:

3.62

IP(EA), eV:

 -8.95(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-methylpiperidin-4-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chloro-5-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate

Drug info:

PubChemData

Smile

C1CC/C=C\[C@@H]2CC2(NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@H](CC1)NC(=O)CCCCCOC5=CC=C(C=C5)C6=NC(=CC=C6)NC(=O)N4)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations