Geometry & MOs

Info

ID:

318161

PubChem CID:

126649192

Reduced:

F2N9O10C59H65 (1)

Stoich.:

A2B9C10D59E65 (1)

Weight, g/mol:

353.148789

ΔHf, kcal/mol:

-443.23

Dipole, Da:

3.78

IP(EA), eV:

 -9.07(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopentyl-N-(hydroxymethyl)-5-phenyl-4-(triazol-1-yl)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CN2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CCC3.CNC(=O)C1=CC(=CN(C1=O)CC2=CC=CC=C2)C(=O)NC3CC(C3)O.CNC(=O)C1=CC(=CN(C1=O)CC2=CC=CC=C2)C(=O)NC3CC(C3)(F)F

DOS

IR

Vibrations